maayan-drug-discovery.ipynb

{
 "cells": [
  {
   "cell_type": "code",
   "execution_count": 1,
   "id": "ebe06732",
   "metadata": {},
   "outputs": [],
   "source": [
    "\"\"\"Class for reading, parsing, and downloading data from the Drugmonizome API.\n",
    "   Adapted fromo harmonizome.py.\n",
    "   https://github.com/MaayanLab/Drugmonizome-ML/blob/master/drugmonizome.py\n",
    "\"\"\"\n",
    "\n",
    "import gzip\n",
    "import json\n",
    "import os\n",
    "import logging\n",
    "\n",
    "# Support for both Python2.X and 3.X.\n",
    "# -----------------------------------------------------------------------------\n",
    "try:\n",
    "    import io\n",
    "    from urllib.request import urlopen\n",
    "    from urllib.error import HTTPError\n",
    "    from urllib.parse import quote_plus\n",
    "except ImportError:\n",
    "    from StringIO import StringIO\n",
    "    from urllib2 import urlopen, HTTPError\n",
    "    from urllib import quote_plus\n",
    "\n",
    "try:\n",
    "    input_shim = raw_input\n",
    "except NameError:\n",
    "    # If `raw_input` throws a `NameError`, the user is using Python 2.X.\n",
    "    input_shim = input\n",
    "\n",
    "import pandas as pd\n",
    "import numpy as np\n",
    "from scipy.sparse import lil_matrix, isspmatrix\n",
    "from itertools import takewhile, repeat\n",
    "from functools import reduce\n",
    "\n",
    "def parse_gmt(fn, row_sep='\\n', col_sep='\\t'):\n",
    "    '''\n",
    "    Parser for reading Drugmonizome data in gmt format (ragged tsv)\n",
    "    Each row is a drug set corresponding to a term\n",
    "    First column is term ID, second column is empty, remaining columns are drug IDs (as InChI keys)\n",
    "    \n",
    "    Returns:\n",
    "        dict: maps term ID to sets of associated drugs\n",
    "    '''\n",
    "    terms_to_drugs = {}\n",
    "    with open(fn, 'r', newline=row_sep) as fh:\n",
    "        for line in fh:\n",
    "            lh = line.strip().split('\\t')\n",
    "            assert lh[1] == '', 'unexpected input format'\n",
    "            terms_to_drugs[lh[0]] = set(lh[2:])\n",
    "    return terms_to_drugs\n",
    "\n",
    "def parse_gmt_to_df(fn, row_sep='\\n', col_sep='\\t'):\n",
    "    '''\n",
    "    Parser for reading Drugmonizome data in gmt format (ragged tsv)\n",
    "    Each row is a drug set corresponding to a term\n",
    "    First column is term ID, second column is empty, remaining columns are drug IDs (as InChI keys)\n",
    "    \n",
    "    Returns:\n",
    "        dataframe: indices are drug IDs, columns are term IDs, filled with 1 if association and 0 otherwise\n",
    "    '''\n",
    "    terms_to_drugs = parse_gmt(fn, row_sep=row_sep, col_sep=col_sep)\n",
    "    all_drugs = reduce(lambda s1, s2: s1.union(s2), terms_to_drugs.values())\n",
    "    df = pd.DataFrame(0, index=sorted(all_drugs), columns=sorted(terms_to_drugs))\n",
    "    for term in terms_to_drugs:\n",
    "        df.loc[terms_to_drugs[term], term] = 1\n",
    "    return df\n",
    "\n",
    "def parse_multiple(fns, row_sep='\\n', col_sep='\\t'):\n",
    "    '''\n",
    "    Reads multiple Drugmonizome datasets and joins dataframe by shared drug IDs\n",
    "    Parser for reading Drugmonizome data in gmt format (ragged tsv)\n",
    "    Each row is a drug set corresponding to a term\n",
    "    First column is term ID, second column is empty, remaining columns are drug IDs (as InChI keys)\n",
    "    \n",
    "    Returns:\n",
    "        dataframe: indices are drug IDs, columns are term IDs, filled with 1 if association and 0 otherwise\n",
    "    '''\n",
    "    # Load individual datasets\n",
    "    df_attributes = [parse_gmt_to_df(fn) for fn in fns]\n",
    "    \n",
    "    # Assemble all attribute datasets\n",
    "    if len(df_attributes) > 1:\n",
    "        # Obtain merged dataframe with omics and target data\n",
    "        df = reduce(\n",
    "            lambda a, b: pd.merge( # Merge two dataframes item by item\n",
    "                a, # left\n",
    "                b, # right\n",
    "                # Items with the same left and right index are merged\n",
    "                left_index=True,\n",
    "                right_index=True,\n",
    "                how='outer', # Keep mis-matched index\n",
    "        ),\n",
    "        df_attributes,\n",
    "    )\n",
    "    else:\n",
    "        df = df_attributes[0]\n",
    "    return df\n",
    "\n",
    "def get_matches_df(drugmonizome_metadata, hits):\n",
    "    '''\n",
    "    Matches a list of drug screen hits to the appropriate Drugmonizome metadata.\n",
    "    Looks for a full match between the name of the hit and the Name or a\n",
    "    synonym of a drug.\n",
    "    \n",
    "    Param:\n",
    "     - drugmonizome_metadata: dataframe with Drugmonizome metadata\n",
    "     - hits: list/set of str names of drug screen hits\n",
    "    \n",
    "    Returns:\n",
    "     - dataframe containing metadata for drug screen hits\n",
    "    '''\n",
    "    # format the set of hits\n",
    "    hits = set(hit.strip().lower() for hit in hits if len(hit.strip()) > 0)\n",
    "    print('Number of hits queried: {}'.format(len(hits)))\n",
    "    \n",
    "    # make boolean array for drugs in Drugmonizome, where a match to a hit is True\n",
    "    in_name = np.array([drug.lower() in hits for drug in drugmonizome_metadata['Name']])\n",
    "    in_synonyms = np.array([any(drug.strip().lower() in hits for drug in synonyms)\n",
    "                            if isinstance(synonyms, list) else False\n",
    "                            for synonyms in drugmonizome_metadata['Synonyms']])\n",
    "    \n",
    "    print('Number of matches: {} / {}'.format(np.sum(np.logical_or(in_synonyms, in_name)), len(drugmonizome_metadata)))\n",
    "    \n",
    "    # find unmatched drugs\n",
    "    hits_name_copy = set(hits)\n",
    "    for drug in drugmonizome_metadata['Name']:\n",
    "        if drug.lower() in hits_name_copy:\n",
    "            hits_name_copy.remove(drug.lower())\n",
    "\n",
    "    hits_syn_copy = set(hits)\n",
    "    for synonyms in drugmonizome_metadata['Synonyms']:\n",
    "        if isinstance(synonyms, str): \n",
    "            for drug in synonyms:\n",
    "                if drug.strip().lower() in hits_syn_copy:\n",
    "                    hits_syn_copy.remove(drug.strip().lower())\n",
    "\n",
    "    missing_hits = hits_name_copy.intersection(hits_syn_copy)\n",
    "    print('Missing in Drugmonizome ({}): {}'.format(len(missing_hits), missing_hits))\n",
    "    \n",
    "    # filter hits metadata\n",
    "    dfhits = drugmonizome_metadata.loc[np.logical_or(in_synonyms, in_name)]\n",
    "    print('Total shape: {}'.format(dfhits.shape))\n",
    "          \n",
    "    return dfhits\n",
    "\n",
    "# Enumerables and constants\n",
    "# -----------------------------------------------------------------------------\n",
    "\n",
    "class Enum(set):\n",
    "    \"\"\"Simple Enum shim since Python 2.X does not have them.\n",
    "    \"\"\"\n",
    "\n",
    "    def __getattr__(self, name):\n",
    "        if name in self:\n",
    "            return name\n",
    "        raise AttributeError\n",
    "\n",
    "\n",
    "def json_from_url(url):\n",
    "    \"\"\"Returns API response after decoding and loading JSON.\n",
    "    \"\"\"\n",
    "    response = urlopen(url)\n",
    "    data = response.read().decode('utf-8')\n",
    "    return json.loads(data)\n",
    "\n",
    "\n",
    "VERSION = 'v1'\n",
    "API_URL = 'http://maayanlab.cloud/drugmonizome/data-api/api'\n",
    "METADATA_URL = 'https://maayanlab.cloud/drugmonizome/metadata-api/entities'\n",
    "\n",
    "# # This config objects pulls the names of the datasets, their directories, and\n",
    "# # the possible downloads from the API. This allows us to add new datasets and\n",
    "# # downloads without breaking this file.\n",
    "# config = json_from_url('https://maayanlab.cloud/drugmonizome/metadata-api/libraries')\n",
    "# DATASET_TO_LINK = {x['meta']['Library_name']: x['meta']['Download_link'] for x in config}\n",
    "\n",
    "# Static version of Drugmonizome datasets, as the Drugmonizome resource is temporarily unavailable\n",
    "LINK_BASE = 'https://appyters.maayanlab.cloud/storage/Drugmonizome_ML/DrugmonizomeGMTs/'\n",
    "DATASET_TO_LINK = {\n",
    "    'L1000FWD Downregulated GO Biological Processes': LINK_BASE + 'L1000FWD/L1000FWD_GO_Biological_Processes_drugsetlibrary_down.gmt',\n",
    "    'L1000FWD Downregulated GO Cellular Components': LINK_BASE + 'L1000FWD/L1000FWD_GO_Cellular_Component_drugsetlibrary_down.gmt',\n",
    "    'L1000FWD Downregulated GO Molecular Function': LINK_BASE + 'L1000FWD/L1000FWD_GO_Molecular_Function_drugsetlibrary_down.gmt',\n",
    "    'L1000FWD Downregulated KEGG Pathways': LINK_BASE + 'L1000FWD/L1000FWD_KEGG_Pathways_drugsetlibrary_down.gmt',\n",
    "    'L1000FWD Downregulated Signatures': LINK_BASE + 'L1000FWD/L1000FWD_signature_drugsetlibrary_down.gmt',\n",
    "    'L1000FWD Predicted Side Effects': LINK_BASE + 'L1000FWD/L1000FWD_predicted_side_effects.gmt',\n",
    "    'L1000FWD Upregulated GO Biological Process': LINK_BASE + 'L1000FWD/L1000FWD_GO_Biological_Processes_drugsetlibrary_up.gmt',\n",
    "    'L1000FWD Upregulated GO Cellular Components': LINK_BASE + 'L1000FWD/L1000FWD_GO_Cellular_Component_drugsetlibrary_up.gmt',\n",
    "    'L1000FWD Upregulated GO Molecular Function': LINK_BASE + 'L1000FWD/L1000FWD_GO_Molecular_Function_drugsetlibrary_up.gmt',\n",
    "    'L1000FWD Upregulated KEGG Pathways': LINK_BASE + 'L1000FWD/L1000FWD_KEGG_Pathways_drugsetlibrary_up.gmt',\n",
    "    'L1000FWD Upregulated Signatures': LINK_BASE + 'L1000FWD/L1000FWD_signature_drugsetlibrary_up.gmt',\n",
    "    'Downregulated CREEDS Signatures': LINK_BASE + 'CREEDS/CREEDS_signature_drugsetlibrary_down.gmt',\n",
    "    'Upregulated CREEDS Signatures': LINK_BASE + 'CREEDS/CREEDS_signature_drugsetlibrary_up.gmt',\n",
    "    'DrugCentral Targets': LINK_BASE + 'DrugCentral/DrugCentral_target_drugsetlibrary.gmt',\n",
    "    'DrugRepurposingHub Drug Targets': LINK_BASE + 'DrugRepurposingHub/DrugRepurposingHub_target_drugsetlibrary.gmt',\n",
    "    'Drugbank Small Molecule Carriers': LINK_BASE + 'Drugbank/Drugbank_smallmolecule_carrier_drugsetlibrary.gmt',\n",
    "    'Drugbank Small Molecule Enzymes': LINK_BASE + 'Drugbank/Drugbank_smallmolecule_enzyme_drugsetlibrary.gmt',\n",
    "    'Drugbank Small Molecule Targets': LINK_BASE + 'Drugbank/Drugbank_smallmolecule_target_drugsetlibrary.gmt',\n",
    "    'Drugbank Small Molecule Transporters': LINK_BASE + 'Drugbank/Drugbank_smallmolecule_transporter_drugsetlibrary.gmt',\n",
    "    'Geneshot Associated Genes': LINK_BASE + 'Geneshot/Geneshot_associated_drugsetlibrary.gmt',\n",
    "    'Geneshot Predicted AutoRIF Genes': LINK_BASE + 'Geneshot/Geneshot_predicted_autorif_drugsetlibrary.gmt',\n",
    "    'Geneshot Predicted Coexpression Genes': LINK_BASE + 'Geneshot/Geneshot_predicted_coexpression_drugsetlibrary.gmt',\n",
    "    'Geneshot Predicted Enrichr Genes': LINK_BASE + 'Geneshot/Geneshot_predicted_enrichr_drugsetlibrary.gmt',\n",
    "    'Geneshot Predicted GeneRIF Genes': LINK_BASE + 'Geneshot/Geneshot_predicted_generif_drugsetlibrary.gmt',\n",
    "    'Geneshot Predicted Tagger Genes': LINK_BASE + 'Geneshot/Geneshot_predicted_tagger_drugsetlibrary.gmt',\n",
    "    'KinomeScan Kinases': LINK_BASE + 'KinomeScan/KinomeScan_kinase_drugsetlibrary.gmt',\n",
    "    'PharmGKB Single Nucleotide Polymorphisms': LINK_BASE + 'PharmGKB/PharmGKB_snp_drugsetlibrary.gmt',\n",
    "    'STITCH Targets': LINK_BASE + 'STITCH/STITCH_genes_drugsetlibrary.gmt',\n",
    "    'ATC Codes Drugsetlibrary': LINK_BASE + 'ATC/ATC_drugsetlibrary.gmt',\n",
    "    'DrugRepurposingHub Mechanisms of Action': LINK_BASE + 'DrugRepurposingHub/DrugRepurposingHub_moa_drugsetlibrary.gmt',\n",
    "    'PharmGKB OFFSIDES Side Effects': LINK_BASE + 'PharmGKB/PharmGKB_OFFSIDES_side_effects_drugsetlibrary.gmt',\n",
    "    'SIDER Indications': LINK_BASE + 'SIDER/SIDER_indications_drugsetlibrary.gmt',\n",
    "    'SIDER Side Effects': LINK_BASE + 'SIDER/SIDER_side_effects_drugsetlibrary.gmt',\n",
    "    'RDKIT MACCS Chemical Fingerprints': LINK_BASE + 'RDKIT/RDKIT_maccs_fingerprints_drugsetlibrary_updated.gmt',\n",
    "}\n",
    "\n",
    "# Drugmonizome class\n",
    "# -----------------------------------------------------------------------------\n",
    "\n",
    "class Drugmonizome(object):\n",
    "\n",
    "    __version__ = VERSION\n",
    "    DATASETS = DATASET_TO_LINK.keys()\n",
    "    drug_metadata = None\n",
    "\n",
    "    @classmethod\n",
    "    def get(cls, entity, name=None, start_at=None):\n",
    "        \"\"\"Returns a single entity or a list, depending on if a name is\n",
    "        provided. If no name is provided and start_at is specified, returns a\n",
    "        list starting at that cursor position.\n",
    "        \"\"\"\n",
    "        if name:\n",
    "            name = quote_plus(name)\n",
    "            return _get_by_name(entity, name)\n",
    "        if start_at is not None and type(start_at) is int:\n",
    "            return _get_with_cursor(entity, start_at)\n",
    "        url = '%s/%s/%s' % (API_URL, VERSION, entity)\n",
    "        result = json_from_url(url)\n",
    "        return result\n",
    "\n",
    "    @classmethod\n",
    "    def next(cls, response):\n",
    "        \"\"\"Returns the next set of entities based on a previous API response.\n",
    "        \"\"\"\n",
    "        start_at = _get_next(response)\n",
    "        entity = _get_entity(response)\n",
    "        return cls.get(entity=entity, start_at=start_at)\n",
    "\n",
    "    @classmethod\n",
    "    def download(cls, datasets=None):\n",
    "        \"\"\"For each dataset, creates a directory and downloads files into it.\n",
    "        \"\"\"\n",
    "        # Why not check `if not datasets`? Because in principle, a user could \n",
    "        # call `download([])`, which should download nothing, not everything.\n",
    "        # Why might they do this? Imagine that the list of datasets is\n",
    "        # dynamically generated in another user script.\n",
    "        if datasets is None:\n",
    "            datasets = cls.DATASETS\n",
    "            warning = 'Warning: You are going to download all Harmonizome '\\\n",
    "                      'data. This is roughly 30GB. Do you accept?\\n(Y/N) '\n",
    "            resp = input_shim(warning)\n",
    "            if resp.lower() != 'y':\n",
    "                return\n",
    "\n",
    "        for dataset in datasets:\n",
    "            if dataset not in cls.DATASETS:\n",
    "                msg = '\"%s\" is not a valid dataset name. Check the `DATASETS`'\\\n",
    "                      ' property for a complete list of names.' % dataset\n",
    "                raise AttributeError(msg)\n",
    "            if not os.path.exists(dataset):\n",
    "                os.mkdir(dataset)\n",
    "            \n",
    "            url = DATASET_TO_LINK[dataset]\n",
    "\n",
    "            try:\n",
    "                response = urlopen(url)\n",
    "                print('test')\n",
    "            except HTTPError as e:\n",
    "                # Not every dataset has all downloads.\n",
    "                raise Exception('Error downloading from %s: %s' % (url, e))\n",
    "            \n",
    "            filename = '%s/%s' % (dataset, url.split('/')[-1])\n",
    "\n",
    "            if response.code != 200:\n",
    "                raise Exception('This should not happen')\n",
    "            \n",
    "            if os.path.isfile(filename):\n",
    "                logging.info('Using cached `%s`' % (filename))\n",
    "            else:\n",
    "                _download_file(response, filename)\n",
    "                \n",
    "            return filename\n",
    "\n",
    "    @classmethod\n",
    "    def download_df(cls, datasets=None, **kwargs):\n",
    "        for file in cls.download(datasets):\n",
    "            return _read_as_dataframe(file, **kwargs)\n",
    "    \n",
    "    @classmethod\n",
    "    def get_datasets(cls):\n",
    "        return cls.DATASETS\n",
    "    \n",
    "    @classmethod\n",
    "    def read_drug_metadata(cls):\n",
    "        \"\"\"Reads all drug metadata into a dataframe\n",
    "        \"\"\"\n",
    "        if cls.drug_metadata is None:\n",
    "            entities = json_from_url(METADATA_URL)\n",
    "            rows_list = []\n",
    "            for entity in entities:\n",
    "                rows_list.append(entity['meta'])\n",
    "            cls.drug_metadata = pd.DataFrame(rows_list)\n",
    "        return cls.drug_metadata\n",
    "\n",
    "    @classmethod\n",
    "    def get_InChI_keys(cls, hits):\n",
    "        \"\"\"Given list of drug names, finds matching InChI keys in Drugmonizome\n",
    "        \"\"\"\n",
    "        df_drugs = cls.read_drug_metadata()\n",
    "        df_hits = get_matches_df(df_drugs, hits)\n",
    "        return list(df_hits['InChI_key'])\n",
    "    \n",
    "    @classmethod\n",
    "    def map_names_to_inchi_keys(cls, hits):\n",
    "        \"\"\"Given list of drug names, finds matching InChI keys in Drugmonizome\n",
    "           and returns dictionary mapping names to associated InChI keys\n",
    "        \"\"\"\n",
    "        hits = set(hit.lower() for hit in hits)\n",
    "        df_drugs = cls.read_drug_metadata()\n",
    "        name_to_inchis = {}\n",
    "        for i in range(len(df_drugs)):\n",
    "            compound = df_drugs.iloc[i]\n",
    "            if isinstance(compound.Synonyms, list):\n",
    "                names = [compound.Name] + compound.Synonyms\n",
    "            else:\n",
    "                names = [compound.Name]\n",
    "            for name in names:\n",
    "                name = name.lower().strip()\n",
    "                if name not in name_to_inchis:\n",
    "                    name_to_inchis[name] = set()\n",
    "                name_to_inchis[name].add(compound.InChI_key)\n",
    "        return {hit: name_to_inchis[hit] for hit in hits if hit in name_to_inchis}\n",
    "    \n",
    "    @classmethod\n",
    "    def get_drug_names(cls, inchi_keys):\n",
    "        \"\"\"Given list of InChI keys, finds matching drug names in Drugmonizome\n",
    "        \"\"\"\n",
    "        df_drugs = cls.read_drug_metadata()\n",
    "        df_drugs = df_drugs.set_index('InChI_key')\n",
    "        return list(df_drugs.reindex(inchi_keys)['Name'])\n",
    "\n",
    "# Utility functions\n",
    "# -------------------------------------------------------------------------\n",
    "\n",
    "def _get_with_cursor(entity, start_at):\n",
    "    \"\"\"Returns a list of entities based on cursor position.\n",
    "    \"\"\"\n",
    "    url = '%s/%s/%s?cursor=%s' % (API_URL, VERSION, entity,str(start_at))\n",
    "    result = json_from_url(url)\n",
    "    return result\n",
    "\n",
    "\n",
    "def _get_by_name(entity, name):\n",
    "    \"\"\"Returns a single entity based on name.\n",
    "    \"\"\"\n",
    "    url = '%s/%s/%s/%s' % (API_URL, VERSION, entity, name)\n",
    "    return json_from_url(url)\n",
    "\n",
    "\n",
    "def _get_entity(response):\n",
    "    \"\"\"Returns the entity from an API response.\n",
    "    \"\"\"\n",
    "    path = response['next'].split('?')[0]\n",
    "    return path.split('/')[3]\n",
    "\n",
    "\n",
    "def _get_next(response):\n",
    "    \"\"\"Returns the next property from an API response.\n",
    "    \"\"\"\n",
    "    if response['next']:\n",
    "        return int(response['next'].split('=')[1])\n",
    "    return None\n",
    "\n",
    "\n",
    "# This function was adopted from here: http://stackoverflow.com/a/15353312.\n",
    "# def _download_and_decompress_file(response, filename):\n",
    "#     \"\"\"Downloads and decompresses a single file from a response object.\n",
    "#     \"\"\"\n",
    "#     compressed_file = StringIO()\n",
    "#     compressed_file.write(response.read())\n",
    "#     compressed_file.seek(0)\n",
    "#     decompressed_file = gzip.GzipFile(fileobj=compressed_file, mode='rb')\n",
    "#     with open(filename, 'w+') as outfile:\n",
    "#         outfile.write(decompressed_file.read())\n",
    "\n",
    "def _download_file(response, filename):\n",
    "    \"\"\"\n",
    "    \"\"\"\n",
    "    file = io.BytesIO(response.read())\n",
    "\n",
    "    with open(filename, 'wb+') as outfile:\n",
    "        outfile.write(file.read())\n",
    "\n",
    "\n",
    "def json_ind_no_slash(ind_names, ind):\n",
    "  return (\n",
    "      json.dumps([ind_name.replace('/', '|')\n",
    "                 for ind_name in ind_names]),\n",
    "      [json.dumps([ii.replace('/', '|')\n",
    "                  for ii in i])\n",
    "       for i in ind],\n",
    "  )\n",
    "\n",
    "def _read_as_dataframe(fn):\n",
    "    ''' Standard loading of dataframe '''\n",
    "    # return fn\n",
    "    print(fn)\n",
    "    import pandas as pd\n",
    "    if fn.endswith('.gmt'):\n",
    "        return parse_gmt_to_df(fn)\n",
    "    else:\n",
    "        raise Exception('Unable to parse this file into a dataframe.')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "id": "ef3ac2b6",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "test\n",
      "test\n"
     ]
    },
    {
     "data": {
      "text/plain": [
       "'L1000FWD Downregulated KEGG Pathways/L1000FWD_KEGG_Pathways_drugsetlibrary_down.gmt'"
      ]
     },
     "execution_count": 2,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "Drugmonizome.download(['L1000FWD Upregulated KEGG Pathways'])\n",
    "Drugmonizome.download(['L1000FWD Downregulated KEGG Pathways'])"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "id": "526aefbd",
   "metadata": {},
   "outputs": [
    {
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       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>ABC transporters</th>\n",
       "      <th>AGE-RAGE signaling pathway in diabetic complications</th>\n",
       "      <th>AMPK signaling pathway</th>\n",
       "      <th>Acute myeloid leukemia</th>\n",
       "      <th>Adherens junction</th>\n",
       "      <th>Adipocytokine signaling pathway</th>\n",
       "      <th>Adrenergic signaling in cardiomyocytes</th>\n",
       "      <th>African trypanosomiasis</th>\n",
       "      <th>Alanine, aspartate and glutamate metabolism</th>\n",
       "      <th>Alcoholism</th>\n",
       "      <th>...</th>\n",
       "      <th>Vasopressin-regulated water reabsorption</th>\n",
       "      <th>Vibrio cholerae infection</th>\n",
       "      <th>Viral carcinogenesis</th>\n",
       "      <th>Viral myocarditis</th>\n",
       "      <th>Wnt signaling pathway</th>\n",
       "      <th>beta-Alanine metabolism</th>\n",
       "      <th>cAMP signaling pathway</th>\n",
       "      <th>cGMP-PKG signaling pathway</th>\n",
       "      <th>mTOR signaling pathway</th>\n",
       "      <th>p53 signaling pathway</th>\n",
       "    </tr>\n",
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       "</table>\n",
       "<p>244 rows × 245 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "                             ABC transporters  \\\n",
       "AATCBLYHOUOCTO-UHFFFAOYSA-N                 0   \n",
       "ACNKWXDVXVEMDQ-UHFFFAOYSA-N                 0   \n",
       "AFJYYKSVHJGXSN-XUCDQRGXSA-N                 0   \n",
       "AICKZRPQDLFSPA-SREVYHEPSA-N                 0   \n",
       "AJVXVYTVAAWZAP-UHFFFAOYSA-N                 0   \n",
       "...                                       ...   \n",
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       "ZXGGCBQORXDVTE-UMCMBGNQSA-N                 0   \n",
       "ZZUZYEMRHCMVTB-UHFFFAOYSA-N                 0   \n",
       "\n",
       "                             AGE-RAGE signaling pathway in diabetic complications  \\\n",
       "AATCBLYHOUOCTO-UHFFFAOYSA-N                                                  1      \n",
       "ACNKWXDVXVEMDQ-UHFFFAOYSA-N                                                  1      \n",
       "AFJYYKSVHJGXSN-XUCDQRGXSA-N                                                  1      \n",
       "AICKZRPQDLFSPA-SREVYHEPSA-N                                                  0      \n",
       "AJVXVYTVAAWZAP-UHFFFAOYSA-N                                                  1      \n",
       "...                                                                        ...      \n",
       "ZHJGWYRLJUCMRT-QGZVFWFLSA-N                                                  0      \n",
       "ZOCUOMKMBMEYQV-GSLJADNHSA-N                                                  0      \n",
       "ZSTFBDBEPIYXAW-UHFFFAOYSA-N                                                  0      \n",
       "ZXGGCBQORXDVTE-UMCMBGNQSA-N                                                  1      \n",
       "ZZUZYEMRHCMVTB-UHFFFAOYSA-N                                                  0      \n",
       "\n",
       "                             AMPK signaling pathway  Acute myeloid leukemia  \\\n",
       "AATCBLYHOUOCTO-UHFFFAOYSA-N                       1                       0   \n",
       "ACNKWXDVXVEMDQ-UHFFFAOYSA-N                       1                       0   \n",
       "AFJYYKSVHJGXSN-XUCDQRGXSA-N                       0                       0   \n",
       "AICKZRPQDLFSPA-SREVYHEPSA-N                       1                       1   \n",
       "AJVXVYTVAAWZAP-UHFFFAOYSA-N                       0                       0   \n",
       "...                                             ...                     ...   \n",
       "ZHJGWYRLJUCMRT-QGZVFWFLSA-N                       0                       0   \n",
       "ZOCUOMKMBMEYQV-GSLJADNHSA-N                       0                       0   \n",
       "ZSTFBDBEPIYXAW-UHFFFAOYSA-N                       0                       0   \n",
       "ZXGGCBQORXDVTE-UMCMBGNQSA-N                       0                       0   \n",
       "ZZUZYEMRHCMVTB-UHFFFAOYSA-N                       0                       0   \n",
       "\n",
       "                             Adherens junction  \\\n",
       "AATCBLYHOUOCTO-UHFFFAOYSA-N                  0   \n",
       "ACNKWXDVXVEMDQ-UHFFFAOYSA-N                  0   \n",
       "AFJYYKSVHJGXSN-XUCDQRGXSA-N                  0   \n",
       "AICKZRPQDLFSPA-SREVYHEPSA-N                  0   \n",
       "AJVXVYTVAAWZAP-UHFFFAOYSA-N                  0   \n",
       "...                                        ...   \n",
       "ZHJGWYRLJUCMRT-QGZVFWFLSA-N                  0   \n",
       "ZOCUOMKMBMEYQV-GSLJADNHSA-N                  0   \n",
       "ZSTFBDBEPIYXAW-UHFFFAOYSA-N                  0   \n",
       "ZXGGCBQORXDVTE-UMCMBGNQSA-N                  0   \n",
       "ZZUZYEMRHCMVTB-UHFFFAOYSA-N                  0   \n",
       "\n",
       "                             Adipocytokine signaling pathway  \\\n",
       "AATCBLYHOUOCTO-UHFFFAOYSA-N                                0   \n",
       "ACNKWXDVXVEMDQ-UHFFFAOYSA-N                                0   \n",
       "AFJYYKSVHJGXSN-XUCDQRGXSA-N                                0   \n",
       "AICKZRPQDLFSPA-SREVYHEPSA-N                                0   \n",
       "AJVXVYTVAAWZAP-UHFFFAOYSA-N                                0   \n",
       "...                                                      ...   \n",
       "ZHJGWYRLJUCMRT-QGZVFWFLSA-N                                0   \n",
       "ZOCUOMKMBMEYQV-GSLJADNHSA-N                                0   \n",
       "ZSTFBDBEPIYXAW-UHFFFAOYSA-N                                0   \n",
       "ZXGGCBQORXDVTE-UMCMBGNQSA-N                                0   \n",
       "ZZUZYEMRHCMVTB-UHFFFAOYSA-N                                0   \n",
       "\n",
       "                             Adrenergic signaling in cardiomyocytes  \\\n",
       "AATCBLYHOUOCTO-UHFFFAOYSA-N                                       0   \n",
       "ACNKWXDVXVEMDQ-UHFFFAOYSA-N                                       0   \n",
       "AFJYYKSVHJGXSN-XUCDQRGXSA-N                                       0   \n",
       "AICKZRPQDLFSPA-SREVYHEPSA-N                                       0   \n",
       "AJVXVYTVAAWZAP-UHFFFAOYSA-N                                       0   \n",
       "...                                                             ...   \n",
       "ZHJGWYRLJUCMRT-QGZVFWFLSA-N                                       0   \n",
       "ZOCUOMKMBMEYQV-GSLJADNHSA-N                                       0   \n",
       "ZSTFBDBEPIYXAW-UHFFFAOYSA-N                                       0   \n",
       "ZXGGCBQORXDVTE-UMCMBGNQSA-N                                       0   \n",
       "ZZUZYEMRHCMVTB-UHFFFAOYSA-N                                       0   \n",
       "\n",
       "                             African trypanosomiasis  \\\n",
       "AATCBLYHOUOCTO-UHFFFAOYSA-N                        0   \n",
       "ACNKWXDVXVEMDQ-UHFFFAOYSA-N                        0   \n",
       "AFJYYKSVHJGXSN-XUCDQRGXSA-N                        0   \n",
       "AICKZRPQDLFSPA-SREVYHEPSA-N                        0   \n",
       "AJVXVYTVAAWZAP-UHFFFAOYSA-N                        0   \n",
       "...                                              ...   \n",
       "ZHJGWYRLJUCMRT-QGZVFWFLSA-N                        0   \n",
       "ZOCUOMKMBMEYQV-GSLJADNHSA-N                        0   \n",
       "ZSTFBDBEPIYXAW-UHFFFAOYSA-N                        0   \n",
       "ZXGGCBQORXDVTE-UMCMBGNQSA-N                        0   \n",
       "ZZUZYEMRHCMVTB-UHFFFAOYSA-N                        0   \n",
       "\n",
       "                             Alanine, aspartate and glutamate metabolism  \\\n",
       "AATCBLYHOUOCTO-UHFFFAOYSA-N                                            0   \n",
       "ACNKWXDVXVEMDQ-UHFFFAOYSA-N                                            0   \n",
       "AFJYYKSVHJGXSN-XUCDQRGXSA-N                                            0   \n",
       "AICKZRPQDLFSPA-SREVYHEPSA-N                                            0   \n",
       "AJVXVYTVAAWZAP-UHFFFAOYSA-N                                            0   \n",
       "...                                                                  ...   \n",
       "ZHJGWYRLJUCMRT-QGZVFWFLSA-N                                            0   \n",
       "ZOCUOMKMBMEYQV-GSLJADNHSA-N                                            0   \n",
       "ZSTFBDBEPIYXAW-UHFFFAOYSA-N                                            0   \n",
       "ZXGGCBQORXDVTE-UMCMBGNQSA-N                                            0   \n",
       "ZZUZYEMRHCMVTB-UHFFFAOYSA-N                                            0   \n",
       "\n",
       "                             Alcoholism  ...  \\\n",
       "AATCBLYHOUOCTO-UHFFFAOYSA-N           1  ...   \n",
       "ACNKWXDVXVEMDQ-UHFFFAOYSA-N           0  ...   \n",
       "AFJYYKSVHJGXSN-XUCDQRGXSA-N           0  ...   \n",
       "AICKZRPQDLFSPA-SREVYHEPSA-N           0  ...   \n",
       "AJVXVYTVAAWZAP-UHFFFAOYSA-N           0  ...   \n",
       "...                                 ...  ...   \n",
       "ZHJGWYRLJUCMRT-QGZVFWFLSA-N           1  ...   \n",
       "ZOCUOMKMBMEYQV-GSLJADNHSA-N           0  ...   \n",
       "ZSTFBDBEPIYXAW-UHFFFAOYSA-N           0  ...   \n",
       "ZXGGCBQORXDVTE-UMCMBGNQSA-N           0  ...   \n",
       "ZZUZYEMRHCMVTB-UHFFFAOYSA-N           0  ...   \n",
       "\n",
       "                             Vasopressin-regulated water reabsorption  \\\n",
       "AATCBLYHOUOCTO-UHFFFAOYSA-N                                         0   \n",
       "ACNKWXDVXVEMDQ-UHFFFAOYSA-N                                         0   \n",
       "AFJYYKSVHJGXSN-XUCDQRGXSA-N                                         0   \n",
       "AICKZRPQDLFSPA-SREVYHEPSA-N                                         0   \n",
       "AJVXVYTVAAWZAP-UHFFFAOYSA-N                                         0   \n",
       "...                                                               ...   \n",
       "ZHJGWYRLJUCMRT-QGZVFWFLSA-N                                         0   \n",
       "ZOCUOMKMBMEYQV-GSLJADNHSA-N                                         0   \n",
       "ZSTFBDBEPIYXAW-UHFFFAOYSA-N                                         0   \n",
       "ZXGGCBQORXDVTE-UMCMBGNQSA-N                                         0   \n",
       "ZZUZYEMRHCMVTB-UHFFFAOYSA-N                                         0   \n",
       "\n",
       "                             Vibrio cholerae infection  Viral carcinogenesis  \\\n",
       "AATCBLYHOUOCTO-UHFFFAOYSA-N                          0                     1   \n",
       "ACNKWXDVXVEMDQ-UHFFFAOYSA-N                          0                     1   \n",
       "AFJYYKSVHJGXSN-XUCDQRGXSA-N                          0                     1   \n",
       "AICKZRPQDLFSPA-SREVYHEPSA-N                          0                     0   \n",
       "AJVXVYTVAAWZAP-UHFFFAOYSA-N                          0                     0   \n",
       "...                                                ...                   ...   \n",
       "ZHJGWYRLJUCMRT-QGZVFWFLSA-N                          0                     1   \n",
       "ZOCUOMKMBMEYQV-GSLJADNHSA-N                          0                     0   \n",
       "ZSTFBDBEPIYXAW-UHFFFAOYSA-N                          0                     0   \n",
       "ZXGGCBQORXDVTE-UMCMBGNQSA-N                          0                     1   \n",
       "ZZUZYEMRHCMVTB-UHFFFAOYSA-N                          0                     0   \n",
       "\n",
       "                             Viral myocarditis  Wnt signaling pathway  \\\n",
       "AATCBLYHOUOCTO-UHFFFAOYSA-N                  0                      0   \n",
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       "                             AGE-RAGE signaling pathway in diabetic complications  \\\n",
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       "...                                                                        ...      \n",
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       "\n",
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       "CTKNMSVWMRRCPW-UHFFFAOYSA-N           0                                    0   \n",
       "...                                 ...                                  ...   \n",
       "XTEUDLFCDXLLCT-HNNXBMFYSA-N           0                                    0   \n",
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       "ZRBJORGEGBDMJS-UHFFFAOYSA-N           0                                    0   \n",
       "ZRDIMGZPSNNFQF-UHFFFAOYSA-N           0                                    0   \n",
       "ZVPDNRVYHLRXLX-UHFFFAOYSA-N           0                                    0   \n",
       "\n",
       "                             ...  Valine, leucine and isoleucine degradation  \\\n",
       "ATUYSKUVHUPXBV-ZFORQUDYSA-N  ...                                           0   \n",
       "AYUNIORJHRXIBJ-TXHRRWQRSA-N  ...                                           0   \n",
       "BBFQZRXNYIEMAW-UHFFFAOYSA-N  ...                                           0   \n",
       "BPRHUIZQVSMCRT-VEUZHWNKSA-N  ...                                           0   \n",
       "CTKNMSVWMRRCPW-UHFFFAOYSA-N  ...                                           0   \n",
       "...                          ...                                         ...   \n",
       "XTEUDLFCDXLLCT-HNNXBMFYSA-N  ...                                           0   \n",
       "XZZYCJOGZYEPPW-UHFFFAOYSA-N  ...                                           0   \n",
       "ZRBJORGEGBDMJS-UHFFFAOYSA-N  ...                                           0   \n",
       "ZRDIMGZPSNNFQF-UHFFFAOYSA-N  ...                                           0   \n",
       "ZVPDNRVYHLRXLX-UHFFFAOYSA-N  ...                                           0   \n",
       "\n",
       "                             Vascular smooth muscle contraction  \\\n",
       "ATUYSKUVHUPXBV-ZFORQUDYSA-N                                   0   \n",
       "AYUNIORJHRXIBJ-TXHRRWQRSA-N                                   0   \n",
       "BBFQZRXNYIEMAW-UHFFFAOYSA-N                                   0   \n",
       "BPRHUIZQVSMCRT-VEUZHWNKSA-N                                   0   \n",
       "CTKNMSVWMRRCPW-UHFFFAOYSA-N                                   0   \n",
       "...                                                         ...   \n",
       "XTEUDLFCDXLLCT-HNNXBMFYSA-N                                   0   \n",
       "XZZYCJOGZYEPPW-UHFFFAOYSA-N                                   0   \n",
       "ZRBJORGEGBDMJS-UHFFFAOYSA-N                                   0   \n",
       "ZRDIMGZPSNNFQF-UHFFFAOYSA-N                                   0   \n",
       "ZVPDNRVYHLRXLX-UHFFFAOYSA-N                                   0   \n",
       "\n",
       "                             Vibrio cholerae infection  Viral carcinogenesis  \\\n",
       "ATUYSKUVHUPXBV-ZFORQUDYSA-N                          0                     0   \n",
       "AYUNIORJHRXIBJ-TXHRRWQRSA-N                          0                     0   \n",
       "BBFQZRXNYIEMAW-UHFFFAOYSA-N                          0                     1   \n",
       "BPRHUIZQVSMCRT-VEUZHWNKSA-N                          0                     0   \n",
       "CTKNMSVWMRRCPW-UHFFFAOYSA-N                          0                     0   \n",
       "...                                                ...                   ...   \n",
       "XTEUDLFCDXLLCT-HNNXBMFYSA-N                          0                     0   \n",
       "XZZYCJOGZYEPPW-UHFFFAOYSA-N                          0                     0   \n",
       "ZRBJORGEGBDMJS-UHFFFAOYSA-N                          0                     0   \n",
       "ZRDIMGZPSNNFQF-UHFFFAOYSA-N                          0                     0   \n",
       "ZVPDNRVYHLRXLX-UHFFFAOYSA-N                          0                     0   \n",
       "\n",
       "                             Viral myocarditis  Wnt signaling pathway  \\\n",
       "ATUYSKUVHUPXBV-ZFORQUDYSA-N                  0                      1   \n",
       "AYUNIORJHRXIBJ-TXHRRWQRSA-N                  0                      1   \n",
       "BBFQZRXNYIEMAW-UHFFFAOYSA-N                  0                      1   \n",
       "BPRHUIZQVSMCRT-VEUZHWNKSA-N                  0                      0   \n",
       "CTKNMSVWMRRCPW-UHFFFAOYSA-N                  0                      0   \n",
       "...                                        ...                    ...   \n",
       "XTEUDLFCDXLLCT-HNNXBMFYSA-N                  1                      1   \n",
       "XZZYCJOGZYEPPW-UHFFFAOYSA-N                  0                      0   \n",
       "ZRBJORGEGBDMJS-UHFFFAOYSA-N                  0                      0   \n",
       "ZRDIMGZPSNNFQF-UHFFFAOYSA-N                  0                      0   \n",
       "ZVPDNRVYHLRXLX-UHFFFAOYSA-N                  0                      1   \n",
       "\n",
       "                             beta-Alanine metabolism  cAMP signaling pathway  \\\n",
       "ATUYSKUVHUPXBV-ZFORQUDYSA-N                        0                       0   \n",
       "AYUNIORJHRXIBJ-TXHRRWQRSA-N                        0                       0   \n",
       "BBFQZRXNYIEMAW-UHFFFAOYSA-N                        0                       0   \n",
       "BPRHUIZQVSMCRT-VEUZHWNKSA-N                        0                       0   \n",
       "CTKNMSVWMRRCPW-UHFFFAOYSA-N                        0                       0   \n",
       "...                                              ...                     ...   \n",
       "XTEUDLFCDXLLCT-HNNXBMFYSA-N                        0                       0   \n",
       "XZZYCJOGZYEPPW-UHFFFAOYSA-N                        0                       0   \n",
       "ZRBJORGEGBDMJS-UHFFFAOYSA-N                        0                       0   \n",
       "ZRDIMGZPSNNFQF-UHFFFAOYSA-N                        0                       0   \n",
       "ZVPDNRVYHLRXLX-UHFFFAOYSA-N                        0                       0   \n",
       "\n",
       "                             cGMP-PKG signaling pathway  p53 signaling pathway  \n",
       "ATUYSKUVHUPXBV-ZFORQUDYSA-N                           0                      0  \n",
       "AYUNIORJHRXIBJ-TXHRRWQRSA-N                           0                      0  \n",
       "BBFQZRXNYIEMAW-UHFFFAOYSA-N                           0                      0  \n",
       "BPRHUIZQVSMCRT-VEUZHWNKSA-N                           0                      1  \n",
       "CTKNMSVWMRRCPW-UHFFFAOYSA-N                           0                      1  \n",
       "...                                                 ...                    ...  \n",
       "XTEUDLFCDXLLCT-HNNXBMFYSA-N                           0                      0  \n",
       "XZZYCJOGZYEPPW-UHFFFAOYSA-N                           0                      0  \n",
       "ZRBJORGEGBDMJS-UHFFFAOYSA-N                           0                      1  \n",
       "ZRDIMGZPSNNFQF-UHFFFAOYSA-N                           0                      1  \n",
       "ZVPDNRVYHLRXLX-UHFFFAOYSA-N                           0                      1  \n",
       "\n",
       "[73 rows x 236 columns]"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "df_upregulated = parse_gmt_to_df('L1000FWD Upregulated KEGG Pathways/L1000FWD_KEGG_Pathways_drugsetlibrary_up.gmt')\n",
    "df_upregulated = df_upregulated.loc[df_upregulated['Colorectal cancer'] == 1]\n",
    "df_downregulated = parse_gmt_to_df('L1000FWD Downregulated KEGG Pathways/L1000FWD_KEGG_Pathways_drugsetlibrary_down.gmt')\n",
    "df_downregulated = df_downregulated.loc[df_downregulated['Colorectal cancer'] == 1]\n",
    "display(df_upregulated)\n",
    "display(df_downregulated)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "id": "26a10422",
   "metadata": {},
   "outputs": [
    {
     "data": {
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       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
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       "      <th>ABC transporters</th>\n",
       "      <th>AGE-RAGE signaling pathway in diabetic complications</th>\n",
       "      <th>AMPK signaling pathway</th>\n",
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       "      <th>Adherens junction</th>\n",
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       "      <th>African trypanosomiasis</th>\n",
       "      <th>Alanine, aspartate and glutamate metabolism</th>\n",
       "      <th>Alcoholism</th>\n",
       "      <th>...</th>\n",
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       "      <th>Collecting duct acid secretion</th>\n",
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       "      <th>Homologous recombination</th>\n",
       "      <th>One carbon pool by folate</th>\n",
       "      <th>Purine metabolism</th>\n",
       "      <th>Pyrimidine metabolism</th>\n",
       "      <th>Retrograde endocannabinoid signaling</th>\n",
       "      <th>Ribosome biogenesis in eukaryotes</th>\n",
       "      <th>Thermogenesis</th>\n",
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       "  </tbody>\n",
       "</table>\n",
       "<p>317 rows × 254 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "                             ABC transporters  \\\n",
       "AATCBLYHOUOCTO-UHFFFAOYSA-N               0.0   \n",
       "ACNKWXDVXVEMDQ-UHFFFAOYSA-N               0.0   \n",
       "AFJYYKSVHJGXSN-XUCDQRGXSA-N               0.0   \n",
       "AICKZRPQDLFSPA-SREVYHEPSA-N               0.0   \n",
       "AJVXVYTVAAWZAP-UHFFFAOYSA-N               0.0   \n",
       "...                                       ...   \n",
       "XTEUDLFCDXLLCT-HNNXBMFYSA-N               NaN   \n",
       "XZZYCJOGZYEPPW-UHFFFAOYSA-N               NaN   \n",
       "ZRBJORGEGBDMJS-UHFFFAOYSA-N               NaN   \n",
       "ZRDIMGZPSNNFQF-UHFFFAOYSA-N               NaN   \n",
       "ZVPDNRVYHLRXLX-UHFFFAOYSA-N               NaN   \n",
       "\n",
       "                             AGE-RAGE signaling pathway in diabetic complications  \\\n",
       "AATCBLYHOUOCTO-UHFFFAOYSA-N                                                  1      \n",
       "ACNKWXDVXVEMDQ-UHFFFAOYSA-N                                                  1      \n",
       "AFJYYKSVHJGXSN-XUCDQRGXSA-N                                                  1      \n",
       "AICKZRPQDLFSPA-SREVYHEPSA-N                                                  0      \n",
       "AJVXVYTVAAWZAP-UHFFFAOYSA-N                                                  1      \n",
       "...                                                                        ...      \n",
       "XTEUDLFCDXLLCT-HNNXBMFYSA-N                                                  1      \n",
       "XZZYCJOGZYEPPW-UHFFFAOYSA-N                                                  1      \n",
       "ZRBJORGEGBDMJS-UHFFFAOYSA-N                                                  1      \n",
       "ZRDIMGZPSNNFQF-UHFFFAOYSA-N                                                  1      \n",
       "ZVPDNRVYHLRXLX-UHFFFAOYSA-N                                                  0      \n",
       "\n",
       "                             AMPK signaling pathway  Acute myeloid leukemia  \\\n",
       "AATCBLYHOUOCTO-UHFFFAOYSA-N                       1                       0   \n",
       "ACNKWXDVXVEMDQ-UHFFFAOYSA-N                       1                       0   \n",
       "AFJYYKSVHJGXSN-XUCDQRGXSA-N                       0                       0   \n",
       "AICKZRPQDLFSPA-SREVYHEPSA-N                       1                       1   \n",
       "AJVXVYTVAAWZAP-UHFFFAOYSA-N                       0                       0   \n",
       "...                                             ...                     ...   \n",
       "XTEUDLFCDXLLCT-HNNXBMFYSA-N                       0                       1   \n",
       "XZZYCJOGZYEPPW-UHFFFAOYSA-N                       0                       0   \n",
       "ZRBJORGEGBDMJS-UHFFFAOYSA-N                       0                       0   \n",
       "ZRDIMGZPSNNFQF-UHFFFAOYSA-N                       0                       0   \n",
       "ZVPDNRVYHLRXLX-UHFFFAOYSA-N                       0                       0   \n",
       "\n",
       "                             Adherens junction  \\\n",
       "AATCBLYHOUOCTO-UHFFFAOYSA-N                  0   \n",
       "ACNKWXDVXVEMDQ-UHFFFAOYSA-N                  0   \n",
       "AFJYYKSVHJGXSN-XUCDQRGXSA-N                  0   \n",
       "AICKZRPQDLFSPA-SREVYHEPSA-N                  0   \n",
       "AJVXVYTVAAWZAP-UHFFFAOYSA-N                  0   \n",
       "...                                        ...   \n",
       "XTEUDLFCDXLLCT-HNNXBMFYSA-N                  0   \n",
       "XZZYCJOGZYEPPW-UHFFFAOYSA-N                  0   \n",
       "ZRBJORGEGBDMJS-UHFFFAOYSA-N                  0   \n",
       "ZRDIMGZPSNNFQF-UHFFFAOYSA-N                  0   \n",
       "ZVPDNRVYHLRXLX-UHFFFAOYSA-N                  0   \n",
       "\n",
       "                             Adipocytokine signaling pathway  \\\n",
       "AATCBLYHOUOCTO-UHFFFAOYSA-N                                0   \n",
       "ACNKWXDVXVEMDQ-UHFFFAOYSA-N                                0   \n",
       "AFJYYKSVHJGXSN-XUCDQRGXSA-N                                0   \n",
       "AICKZRPQDLFSPA-SREVYHEPSA-N                                0   \n",
       "AJVXVYTVAAWZAP-UHFFFAOYSA-N                                0   \n",
       "...                                                      ...   \n",
       "XTEUDLFCDXLLCT-HNNXBMFYSA-N                                0   \n",
       "XZZYCJOGZYEPPW-UHFFFAOYSA-N                                0   \n",
       "ZRBJORGEGBDMJS-UHFFFAOYSA-N                                0   \n",
       "ZRDIMGZPSNNFQF-UHFFFAOYSA-N                                0   \n",
       "ZVPDNRVYHLRXLX-UHFFFAOYSA-N                                0   \n",
       "\n",
       "                             Adrenergic signaling in cardiomyocytes  \\\n",
       "AATCBLYHOUOCTO-UHFFFAOYSA-N                                       0   \n",
       "ACNKWXDVXVEMDQ-UHFFFAOYSA-N                                       0   \n",
       "AFJYYKSVHJGXSN-XUCDQRGXSA-N                                       0   \n",
       "AICKZRPQDLFSPA-SREVYHEPSA-N                                       0   \n",
       "AJVXVYTVAAWZAP-UHFFFAOYSA-N                                       0   \n",
       "...                                                             ...   \n",
       "XTEUDLFCDXLLCT-HNNXBMFYSA-N                                       0   \n",
       "XZZYCJOGZYEPPW-UHFFFAOYSA-N                                       0   \n",
       "ZRBJORGEGBDMJS-UHFFFAOYSA-N                                       0   \n",
       "ZRDIMGZPSNNFQF-UHFFFAOYSA-N                                       0   \n",
       "ZVPDNRVYHLRXLX-UHFFFAOYSA-N                                       0   \n",
       "\n",
       "                             African trypanosomiasis  \\\n",
       "AATCBLYHOUOCTO-UHFFFAOYSA-N                        0   \n",
       "ACNKWXDVXVEMDQ-UHFFFAOYSA-N                        0   \n",
       "AFJYYKSVHJGXSN-XUCDQRGXSA-N                        0   \n",
       "AICKZRPQDLFSPA-SREVYHEPSA-N                        0   \n",
       "AJVXVYTVAAWZAP-UHFFFAOYSA-N                        0   \n",
       "...                                              ...   \n",
       "XTEUDLFCDXLLCT-HNNXBMFYSA-N                        0   \n",
       "XZZYCJOGZYEPPW-UHFFFAOYSA-N                        0   \n",
       "ZRBJORGEGBDMJS-UHFFFAOYSA-N                        1   \n",
       "ZRDIMGZPSNNFQF-UHFFFAOYSA-N                        1   \n",
       "ZVPDNRVYHLRXLX-UHFFFAOYSA-N                        0   \n",
       "\n",
       "                             Alanine, aspartate and glutamate metabolism  \\\n",
       "AATCBLYHOUOCTO-UHFFFAOYSA-N                                            0   \n",
       "ACNKWXDVXVEMDQ-UHFFFAOYSA-N                                            0   \n",
       "AFJYYKSVHJGXSN-XUCDQRGXSA-N                                            0   \n",
       "AICKZRPQDLFSPA-SREVYHEPSA-N                                            0   \n",
       "AJVXVYTVAAWZAP-UHFFFAOYSA-N                                            0   \n",
       "...                                                                  ...   \n",
       "XTEUDLFCDXLLCT-HNNXBMFYSA-N                                            0   \n",
       "XZZYCJOGZYEPPW-UHFFFAOYSA-N                                            0   \n",
       "ZRBJORGEGBDMJS-UHFFFAOYSA-N                                            0   \n",
       "ZRDIMGZPSNNFQF-UHFFFAOYSA-N                                            0   \n",
       "ZVPDNRVYHLRXLX-UHFFFAOYSA-N                                            0   \n",
       "\n",
       "                             Alcoholism  ...  p53 signaling pathway  \\\n",
       "AATCBLYHOUOCTO-UHFFFAOYSA-N           1  ...                      1   \n",
       "ACNKWXDVXVEMDQ-UHFFFAOYSA-N           0  ...                      1   \n",
       "AFJYYKSVHJGXSN-XUCDQRGXSA-N           0  ...                      1   \n",
       "AICKZRPQDLFSPA-SREVYHEPSA-N           0  ...                      0   \n",
       "AJVXVYTVAAWZAP-UHFFFAOYSA-N           0  ...                      0   \n",
       "...                                 ...  ...                    ...   \n",
       "XTEUDLFCDXLLCT-HNNXBMFYSA-N           0  ...                      0   \n",
       "XZZYCJOGZYEPPW-UHFFFAOYSA-N           0  ...                      0   \n",
       "ZRBJORGEGBDMJS-UHFFFAOYSA-N           0  ...                      1   \n",
       "ZRDIMGZPSNNFQF-UHFFFAOYSA-N           0  ...                      1   \n",
       "ZVPDNRVYHLRXLX-UHFFFAOYSA-N           0  ...                      1   \n",
       "\n",
       "                             Collecting duct acid secretion  \\\n",
       "AATCBLYHOUOCTO-UHFFFAOYSA-N                             NaN   \n",
       "ACNKWXDVXVEMDQ-UHFFFAOYSA-N                             NaN   \n",
       "AFJYYKSVHJGXSN-XUCDQRGXSA-N                             NaN   \n",
       "AICKZRPQDLFSPA-SREVYHEPSA-N                             NaN   \n",
       "AJVXVYTVAAWZAP-UHFFFAOYSA-N                             NaN   \n",
       "...                                                     ...   \n",
       "XTEUDLFCDXLLCT-HNNXBMFYSA-N                             0.0   \n",
       "XZZYCJOGZYEPPW-UHFFFAOYSA-N                             0.0   \n",
       "ZRBJORGEGBDMJS-UHFFFAOYSA-N                             0.0   \n",
       "ZRDIMGZPSNNFQF-UHFFFAOYSA-N                             0.0   \n",
       "ZVPDNRVYHLRXLX-UHFFFAOYSA-N                             0.0   \n",
       "\n",
       "                             Glyoxylate and dicarboxylate metabolism  \\\n",
       "AATCBLYHOUOCTO-UHFFFAOYSA-N                                      NaN   \n",
       "ACNKWXDVXVEMDQ-UHFFFAOYSA-N                                      NaN   \n",
       "AFJYYKSVHJGXSN-XUCDQRGXSA-N                                      NaN   \n",
       "AICKZRPQDLFSPA-SREVYHEPSA-N                                      NaN   \n",
       "AJVXVYTVAAWZAP-UHFFFAOYSA-N                                      NaN   \n",
       "...                                                              ...   \n",
       "XTEUDLFCDXLLCT-HNNXBMFYSA-N                                      0.0   \n",
       "XZZYCJOGZYEPPW-UHFFFAOYSA-N                                      0.0   \n",
       "ZRBJORGEGBDMJS-UHFFFAOYSA-N                                      0.0   \n",
       "ZRDIMGZPSNNFQF-UHFFFAOYSA-N                                      0.0   \n",
       "ZVPDNRVYHLRXLX-UHFFFAOYSA-N                                      0.0   \n",
       "\n",
       "                             Homologous recombination  \\\n",
       "AATCBLYHOUOCTO-UHFFFAOYSA-N                       NaN   \n",
       "ACNKWXDVXVEMDQ-UHFFFAOYSA-N                       NaN   \n",
       "AFJYYKSVHJGXSN-XUCDQRGXSA-N                       NaN   \n",
       "AICKZRPQDLFSPA-SREVYHEPSA-N                       NaN   \n",
       "AJVXVYTVAAWZAP-UHFFFAOYSA-N                       NaN   \n",
       "...                                               ...   \n",
       "XTEUDLFCDXLLCT-HNNXBMFYSA-N                       0.0   \n",
       "XZZYCJOGZYEPPW-UHFFFAOYSA-N                       0.0   \n",
       "ZRBJORGEGBDMJS-UHFFFAOYSA-N                       0.0   \n",
       "ZRDIMGZPSNNFQF-UHFFFAOYSA-N                       0.0   \n",
       "ZVPDNRVYHLRXLX-UHFFFAOYSA-N                       0.0   \n",
       "\n",
       "                             One carbon pool by folate  Purine metabolism  \\\n",
       "AATCBLYHOUOCTO-UHFFFAOYSA-N                        NaN                NaN   \n",
       "ACNKWXDVXVEMDQ-UHFFFAOYSA-N                        NaN                NaN   \n",
       "AFJYYKSVHJGXSN-XUCDQRGXSA-N                        NaN                NaN   \n",
       "AICKZRPQDLFSPA-SREVYHEPSA-N                        NaN                NaN   \n",
       "AJVXVYTVAAWZAP-UHFFFAOYSA-N                        NaN                NaN   \n",
       "...                                                ...                ...   \n",
       "XTEUDLFCDXLLCT-HNNXBMFYSA-N                        0.0                0.0   \n",
       "XZZYCJOGZYEPPW-UHFFFAOYSA-N                        0.0                0.0   \n",
       "ZRBJORGEGBDMJS-UHFFFAOYSA-N                        0.0                0.0   \n",
       "ZRDIMGZPSNNFQF-UHFFFAOYSA-N                        0.0                0.0   \n",
       "ZVPDNRVYHLRXLX-UHFFFAOYSA-N                        0.0                0.0   \n",
       "\n",
       "                             Pyrimidine metabolism  \\\n",
       "AATCBLYHOUOCTO-UHFFFAOYSA-N                    NaN   \n",
       "ACNKWXDVXVEMDQ-UHFFFAOYSA-N                    NaN   \n",
       "AFJYYKSVHJGXSN-XUCDQRGXSA-N                    NaN   \n",
       "AICKZRPQDLFSPA-SREVYHEPSA-N                    NaN   \n",
       "AJVXVYTVAAWZAP-UHFFFAOYSA-N                    NaN   \n",
       "...                                            ...   \n",
       "XTEUDLFCDXLLCT-HNNXBMFYSA-N                    0.0   \n",
       "XZZYCJOGZYEPPW-UHFFFAOYSA-N                    0.0   \n",
       "ZRBJORGEGBDMJS-UHFFFAOYSA-N                    0.0   \n",
       "ZRDIMGZPSNNFQF-UHFFFAOYSA-N                    0.0   \n",
       "ZVPDNRVYHLRXLX-UHFFFAOYSA-N                    0.0   \n",
       "\n",
       "                             Retrograde endocannabinoid signaling  \\\n",
       "AATCBLYHOUOCTO-UHFFFAOYSA-N                                   NaN   \n",
       "ACNKWXDVXVEMDQ-UHFFFAOYSA-N                                   NaN   \n",
       "AFJYYKSVHJGXSN-XUCDQRGXSA-N                                   NaN   \n",
       "AICKZRPQDLFSPA-SREVYHEPSA-N                                   NaN   \n",
       "AJVXVYTVAAWZAP-UHFFFAOYSA-N                                   NaN   \n",
       "...                                                           ...   \n",
       "XTEUDLFCDXLLCT-HNNXBMFYSA-N                                   0.0   \n",
       "XZZYCJOGZYEPPW-UHFFFAOYSA-N                                   0.0   \n",
       "ZRBJORGEGBDMJS-UHFFFAOYSA-N                                   0.0   \n",
       "ZRDIMGZPSNNFQF-UHFFFAOYSA-N                                   0.0   \n",
       "ZVPDNRVYHLRXLX-UHFFFAOYSA-N                                   0.0   \n",
       "\n",
       "                             Ribosome biogenesis in eukaryotes  Thermogenesis  \n",
       "AATCBLYHOUOCTO-UHFFFAOYSA-N                                NaN            NaN  \n",
       "ACNKWXDVXVEMDQ-UHFFFAOYSA-N                                NaN            NaN  \n",
       "AFJYYKSVHJGXSN-XUCDQRGXSA-N                                NaN            NaN  \n",
       "AICKZRPQDLFSPA-SREVYHEPSA-N                                NaN            NaN  \n",
       "AJVXVYTVAAWZAP-UHFFFAOYSA-N                                NaN            NaN  \n",
       "...                                                        ...            ...  \n",
       "XTEUDLFCDXLLCT-HNNXBMFYSA-N                                0.0            0.0  \n",
       "XZZYCJOGZYEPPW-UHFFFAOYSA-N                                0.0            0.0  \n",
       "ZRBJORGEGBDMJS-UHFFFAOYSA-N                                0.0            0.0  \n",
       "ZRDIMGZPSNNFQF-UHFFFAOYSA-N                                0.0            0.0  \n",
       "ZVPDNRVYHLRXLX-UHFFFAOYSA-N                                0.0            0.0  \n",
       "\n",
       "[317 rows x 254 columns]"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "317\n"
     ]
    }
   ],
   "source": [
    "# def suggest_drugs_from_cms(cms):\n",
    "# https://docs.google.com/spreadsheets/d/1aQC-TRxuAzGLwLgKeh8sJXHyK78OZjY9iIx-G1aOA0U/edit#gid=0\n",
    "#     if cms == 1: \n",
    "#         search_terms = [];\n",
    "#     elif cms == 2: \n",
    "#         search_terms = [];\n",
    "#     elif cms == 3: \n",
    "#         search_terms = [];\n",
    "#     elif cms == 4: \n",
    "#         search_terms = [];\n",
    "#     return search_terms\n",
    "\n",
    "df = pd.concat([df_upregulated,df_downregulated], sort=False)\n",
    "display(df)\n",
    "print(len(df))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "id": "a5651e60",
   "metadata": {},
   "outputs": [],
   "source": [
    "def suggest_drugs(search_nodes):\n",
    "    drug_database = Drugmonizome.read_drug_metadata()\n",
    "    \n",
    "    drugs = drug_database.loc[drug_database['InChI_key'].isin(list(df.index.values))]\n",
    "    urllist = drugs.Download_url.tolist()\n",
    "\n",
    "    output_drugs = []; \n",
    "    for drug_n, drug_json_url in enumerate(urllist):\n",
    "        json_associations = json_from_url(drug_json_url)['Associations']\n",
    "        drug_targets = []; drug_name = ''\n",
    "        for j in range(0, len(json_associations)):\n",
    "            temp = json_associations[j]\n",
    "            for k in search_terms:\n",
    "                if k in temp['Term'][0]['Name']:\n",
    "                    drug_targets.append(temp['Term'][0]['Name'])\n",
    "                    if drug_name == '':\n",
    "                        drug_name = str(drugs.Name.tolist()[drug_n])\n",
    "\n",
    "        output_drugs.append([drug_name, drug_targets])    \n",
    "        \n",
    "    return output_drugs\n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "id": "d01eddf3",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "[['chlorambucil',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'AREG',\n",
       "   'EREG',\n",
       "   'TGFA',\n",
       "   'HBEGF',\n",
       "   'VEGFA',\n",
       "   'NRAS',\n",
       "   'KRAS',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'KRAS']],\n",
       " ['perhexiline',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'AREG',\n",
       "   'EREG',\n",
       "   'VEGFA',\n",
       "   'HBEGF',\n",
       "   'EREG',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'PI3K-Akt signaling pathway']],\n",
       " ['lopinavir',\n",
       "  ['VEGFA',\n",
       "   'AREG',\n",
       "   'VEGFC',\n",
       "   'VEGFA',\n",
       "   'VEGFD',\n",
       "   'TGFA',\n",
       "   'EGF',\n",
       "   'VEGFA',\n",
       "   'PI3K-Akt signaling pathway']],\n",
       " ['yl-54',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'AREG',\n",
       "   'HBEGF',\n",
       "   'MEGF9',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'positive regulation of ERK1 and ERK2 cascade (GO:0070374)',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)',\n",
       "   'ERK1 and ERK2 cascade (GO:0070371)']],\n",
       " ['vu-0410183-2', ['EGFR', 'EGFR', 'VEGFA', 'EREG']],\n",
       " ['brd-k75477256',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'TGFA',\n",
       "   'HBEGF',\n",
       "   'VEGFA',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'MEGF9']],\n",
       " ['1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'VEGF signaling pathway',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'AREG',\n",
       "   'EREG',\n",
       "   'HBEGF',\n",
       "   'TGFA',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'negative regulation of ERK1 and ERK2 cascade (GO:0070373)']],\n",
       " ['paclitaxel',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'VEGF signaling pathway',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'EREG',\n",
       "   'HBEGF',\n",
       "   'KRAS',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'PI3K-Akt signaling pathway']],\n",
       " ['norethisterone', ['AREG', 'KRAS', 'EGF', 'TGFA']],\n",
       " ['etoposide',\n",
       "  ['VEGFA',\n",
       "   'PI3K-Akt signaling pathway',\n",
       "   'HBEGF',\n",
       "   'MEGF9',\n",
       "   'KRAS',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'positive regulation of ERK1 and ERK2 cascade (GO:0070374)',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)',\n",
       "   'negative regulation of ERK1 and ERK2 cascade (GO:0070373)']],\n",
       " ['gw-6471',\n",
       "  ['MEGF9',\n",
       "   'EGFL6',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)',\n",
       "   'PI3K-Akt signaling pathway']],\n",
       " ['brd-a59145032',\n",
       "  ['PI3K-Akt signaling pathway', 'EGFR', 'EGFR', 'KRAS', 'EREG', 'AREG']],\n",
       " ['idarubicin', ['KRAS', 'EGFR', 'EGFR', 'EGF', 'EGFR', 'EGFR', 'VEGFA']],\n",
       " ['brd-a82913781', ['EREG', 'PI3K-Akt signaling pathway']],\n",
       " ['digitoxin', ['AREG', 'EREG', 'NRAS', 'EGFR', 'EGFR', 'VEGFA']],\n",
       " ['', []],\n",
       " ['docosatrienoic-acid', ['AREG', 'EREG', 'TGFA']],\n",
       " ['brd-k02216544',\n",
       "  ['PI3K-Akt signaling pathway', 'VEGF signaling pathway', 'AREG', 'VEGFA']],\n",
       " ['brd-k02562327',\n",
       "  ['negative regulation of ERK1 and ERK2 cascade (GO:0070373)',\n",
       "   'PI3K-Akt signaling pathway']],\n",
       " ['brd-k07161233',\n",
       "  ['PI3K-Akt signaling pathway', 'AREG', 'VEGFA', 'EGFR', 'EGFR']],\n",
       " ['brd-k08307026',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'AREG',\n",
       "   'TGFA',\n",
       "   'HBEGF',\n",
       "   'VEGFA',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'negative regulation of ERK1 and ERK2 cascade (GO:0070373)']],\n",
       " ['ku-0060648', ['EGFL6', 'EREG']],\n",
       " ['md-ii-008-p',\n",
       "  ['TGFA',\n",
       "   'KRAS',\n",
       "   'EREG',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)',\n",
       "   'PI3K-Akt signaling pathway',\n",
       "   'VEGF signaling pathway']],\n",
       " ['mek1-2-inhibitor', ['HBEGF', 'EREG', 'AREG', 'EGFR', 'EGFR', 'TGFA']],\n",
       " ['brd-k14788918',\n",
       "  ['PI3K-Akt signaling pathway', 'EGFR', 'EGFR', 'AREG', 'TGFA']],\n",
       " ['brazilin',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'HBEGF',\n",
       "   'VEGFA',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)']],\n",
       " ['ku-c104254',\n",
       "  ['PI3K-Akt signaling pathway', 'AREG', 'EREG', 'KRAS', 'VEGFC']],\n",
       " ['jtc-801',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'EREG',\n",
       "   'HBEGF',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)']],\n",
       " ['mw-stk33-2c',\n",
       "  ['PI3K-Akt signaling pathway', 'EGFR', 'EGFR', 'AREG', 'KRAS', 'VEGFD']],\n",
       " ['brd-k21009077', ['AREG', 'EREG', 'HBEGF', 'EGF']],\n",
       " ['piperlongumine',\n",
       "  ['VEGFA',\n",
       "   'EGFL6',\n",
       "   'MEGF9',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)']],\n",
       " ['brd-k26160061', ['EREG', 'EGFR', 'EGFR']],\n",
       " ['rifapentine', ['KRAS', 'EGFR', 'EGFR', 'PI3K-Akt signaling pathway']],\n",
       " ['ketoconazole',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'AREG',\n",
       "   'EREG',\n",
       "   'VEGFA',\n",
       "   'MEGF9',\n",
       "   'VEGFC']],\n",
       " ['brd-k31706415',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'EREG',\n",
       "   'VEGFA',\n",
       "   'EGF',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)']],\n",
       " ['sildenafil',\n",
       "  ['VEGFB',\n",
       "   'AREG',\n",
       "   'TGFA',\n",
       "   'EGF',\n",
       "   'VEGFA',\n",
       "   'HBEGF',\n",
       "   'AREG',\n",
       "   'TGFA',\n",
       "   'EREG',\n",
       "   'PI3K-Akt signaling pathway']],\n",
       " ['brd-k35004659', ['PI3K-Akt signaling pathway', 'TGFA', 'HBEGF', 'VEGFA']],\n",
       " ['torin-1',\n",
       "  ['PI3K-Akt signaling pathway', 'EGFR', 'EGFR', 'AREG', 'TGFA', 'VEGFA']],\n",
       " ['cinanserin', ['VEGFA', 'AREG']],\n",
       " ['brd-k41925105',\n",
       "  ['EGFR',\n",
       "   'EGFR',\n",
       "   'EREG',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)']],\n",
       " ['epicatechin',\n",
       "  ['TGFA',\n",
       "   'EGF',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'VEGFA',\n",
       "   'PI3K-Akt signaling pathway',\n",
       "   'VEGF signaling pathway']],\n",
       " ['ebelactone-b',\n",
       "  ['EGFR',\n",
       "   'EGFR',\n",
       "   'EREG',\n",
       "   'TGFA',\n",
       "   'HBEGF',\n",
       "   'KRAS',\n",
       "   'AREG',\n",
       "   'positive regulation of ERK1 and ERK2 cascade (GO:0070374)']],\n",
       " ['brd-k66224104', ['EGFR', 'EGFR']],\n",
       " ['ql-x-138', ['EGFR', 'EGFR', 'TGFA']],\n",
       " ['ikk-2-inhibitor-v',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'HBEGF',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)']],\n",
       " ['km-00927', ['VEGFA']],\n",
       " ['tyrphostin-47',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'AREG',\n",
       "   'TGFA',\n",
       "   'HBEGF',\n",
       "   'VEGFA']],\n",
       " ['topotecan',\n",
       "  ['EGFR',\n",
       "   'EGFR',\n",
       "   'HBEGF',\n",
       "   'KRAS',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'EGF',\n",
       "   'EGFLAM',\n",
       "   'EGFL6',\n",
       "   'EGFL6']],\n",
       " ['brd-k06009608', ['AREG', 'KRAS']],\n",
       " ['artemether', ['KRAS', 'AREG']],\n",
       " ['tamatinib',\n",
       "  ['EGFR',\n",
       "   'EGFR',\n",
       "   'EREG',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'TGFA',\n",
       "   'VEGFC',\n",
       "   'PI3K-Akt signaling pathway']],\n",
       " ['brd-a04172077', ['EGFR', 'EGFR']],\n",
       " ['cvf-sumo-7',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'EREG',\n",
       "   'AREG',\n",
       "   'PI3K-Akt signaling pathway']],\n",
       " ['cyclosporin-a',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'AREG',\n",
       "   'TGFA',\n",
       "   'HBEGF',\n",
       "   'VEGFA',\n",
       "   'VEGFC',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)']],\n",
       " ['selamectin',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'AREG',\n",
       "   'EREG',\n",
       "   'HBEGF',\n",
       "   'MEGF9',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)',\n",
       "   'negative regulation of ERK1 and ERK2 cascade (GO:0070373)',\n",
       "   'ERK1 and ERK2 cascade (GO:0070371)']],\n",
       " ['rottlerin',\n",
       "  ['VEGFA',\n",
       "   'VEGFC',\n",
       "   'MEGF9',\n",
       "   'TGFA',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)']],\n",
       " ['brd-k05153001',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'AREG',\n",
       "   'EREG',\n",
       "   'VEGFA',\n",
       "   'KRAS',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)']],\n",
       " ['angiogenesis-inhibitor',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'VEGFA',\n",
       "   'MEGF9',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)']],\n",
       " ['cs-110266', ['PI3K-Akt signaling pathway', 'AREG', 'TGFA', 'EGFL6']],\n",
       " ['aristolochic-acid', ['EREG', 'EGFR', 'EGFR']],\n",
       " ['yl-59', ['AREG']],\n",
       " ['fenretinide',\n",
       "  ['EREG',\n",
       "   'HBEGF',\n",
       "   'MEGF9',\n",
       "   'EGF',\n",
       "   'NRAS',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'VEGFA',\n",
       "   'CERK',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)']],\n",
       " ['sa-1017940', ['PI3K-Akt signaling pathway', 'AREG', 'KRAS']],\n",
       " ['brd-k67470788',\n",
       "  ['EGFR', 'EGFR', 'regulation of ERK1 and ERK2 cascade (GO:0070372)']],\n",
       " ['yl-55', ['PI3K-Akt signaling pathway', 'AREG', 'HBEGF', 'MEGF9']],\n",
       " ['rizatriptan', ['AREG', 'VEGFA', 'HBEGF', 'EREG', 'VEGFB', 'VEGFA']],\n",
       " ['pioglitazone', ['VEGFA', 'AREG', 'VEGFB']],\n",
       " ['7-[4-(dimethylamino)phenyl]-n-hydroxy-4,6-dimethyl-7-oxo-2,4-heptadienamide',\n",
       "  ['VEGFA',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'EGF',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'PI3K-Akt signaling pathway']],\n",
       " ['brd-k40300908',\n",
       "  ['KRAS',\n",
       "   'AREG',\n",
       "   'EGF',\n",
       "   'PI3K-Akt signaling pathway',\n",
       "   'VEGF signaling pathway']],\n",
       " ['tanespimycin',\n",
       "  ['VEGFA',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'KRAS',\n",
       "   'HBEGF',\n",
       "   'NRAS',\n",
       "   'KRAS',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'EGF',\n",
       "   'TGFA',\n",
       "   'NRAS',\n",
       "   'EREG',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'PI3K-Akt signaling pathway']],\n",
       " ['cardarine', ['AREG', 'EREG', 'MEGF9']],\n",
       " ['sns-314', ['PI3K-Akt signaling pathway', 'EGFR', 'EGFR', 'HBEGF']],\n",
       " ['pazopanib',\n",
       "  ['VEGFA',\n",
       "   'AREG',\n",
       "   'VEGFA',\n",
       "   'NRAS',\n",
       "   'KRAS',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'EGF',\n",
       "   'VEGFR inhibitor',\n",
       "   'VEGFR inhibitor',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'positive regulation of ERK1 and ERK2 cascade (GO:0070374)',\n",
       "   'VEGFB',\n",
       "   'TGFA',\n",
       "   'NRAS',\n",
       "   'KRAS',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'VEGFA',\n",
       "   'KRAS',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)',\n",
       "   'TGFA',\n",
       "   'NRAS',\n",
       "   'KRAS',\n",
       "   'EGFR',\n",
       "   'EGFR']],\n",
       " ['brd-k60070073',\n",
       "  ['EREG',\n",
       "   'AREG',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)',\n",
       "   'PI3K-Akt signaling pathway']],\n",
       " ['5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3-carboxamide',\n",
       "  ['EREG', 'TGFA', 'EGF']],\n",
       " ['5-[(e)-(5-chloro-2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]-n-[2-(diethylamino)ethyl]-2,4-dimethyl-1h-pyrrole-3-carboxamide',\n",
       "  ['AREG', 'EREG', 'VEGFA', 'EGFL6', 'TGFA']],\n",
       " ['7b-cis', ['KRAS']],\n",
       " ['brd-k62300190', ['EGFR', 'EGFR']],\n",
       " ['brd-k62459624', ['VEGFA', 'EREG', 'AREG']],\n",
       " ['brd-k65983740', ['AREG', 'EGFL6']],\n",
       " ['fluvastatin',\n",
       "  ['KRAS',\n",
       "   'EGF',\n",
       "   'EGF',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'VEGFA',\n",
       "   'PI3K-Akt signaling pathway']],\n",
       " ['gdc-0879', ['KRAS']],\n",
       " ['geranylgeraniol', ['EGFL6', 'KRAS', 'EGFR', 'EGFR']],\n",
       " ['amsacrine',\n",
       "  ['AREG',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'EGF',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'positive regulation of ERK1 and ERK2 cascade (GO:0070374)',\n",
       "   'PI3K-Akt signaling pathway']],\n",
       " ['saracatinib',\n",
       "  ['HBEGF',\n",
       "   'EREG',\n",
       "   'AREG',\n",
       "   'VEGFC',\n",
       "   'TGFA',\n",
       "   'VEGFA',\n",
       "   'NRAS',\n",
       "   'KRAS',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'EGF',\n",
       "   'AREG',\n",
       "   'TGFA',\n",
       "   'KRAS',\n",
       "   'EREG',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'EGF',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'VEGFA',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'EGF',\n",
       "   'PI3K-Akt signaling pathway']],\n",
       " ['protionamide', ['TGFA', 'VEGFA']],\n",
       " ['brd-a68274214', ['EREG', 'KRAS']],\n",
       " ['cidoxepin',\n",
       "  ['VEGFA',\n",
       "   'AREG',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'PI3K-Akt signaling pathway']],\n",
       " ['brd-a08662020',\n",
       "  ['EGFR',\n",
       "   'EGFR',\n",
       "   'EREG',\n",
       "   'KRAS',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)']],\n",
       " ['bci-hydrochloride',\n",
       "  ['TGFA',\n",
       "   'HBEGF',\n",
       "   'EREG',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)']],\n",
       " ['scopolamine',\n",
       "  ['AREG', 'EGFL6', 'PERK-mediated unfolded protein response (GO:0036499)']],\n",
       " ['hu-211',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'AREG',\n",
       "   'EREG',\n",
       "   'HBEGF',\n",
       "   'VEGFA',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'positive regulation of ERK1 and ERK2 cascade (GO:0070374)',\n",
       "   'negative regulation of ERK1 and ERK2 cascade (GO:0070373)']],\n",
       " ['latrunculin-b',\n",
       "  ['KRAS',\n",
       "   'HBEGF',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'TGFA',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)']],\n",
       " ['calmidazolium',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'AREG',\n",
       "   'VEGFA',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)']],\n",
       " ['ter-14687',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'VEGFA',\n",
       "   'EREG',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)']],\n",
       " ['teniposide',\n",
       "  ['AREG',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'positive regulation of ERK1 and ERK2 cascade (GO:0070374)',\n",
       "   'PI3K-Akt signaling pathway']],\n",
       " ['periplocymarin',\n",
       "  ['PI3K-Akt signaling pathway', 'EGFR', 'EGFR', 'AREG', 'HBEGF']],\n",
       " ['ouabain',\n",
       "  ['EGFR',\n",
       "   'EGFR',\n",
       "   'AREG',\n",
       "   'HBEGF',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'negative regulation of ERK1 and ERK2 cascade (GO:0070373)']],\n",
       " ['ivermectin',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'TGFA',\n",
       "   'VEGFA',\n",
       "   'MEGF9',\n",
       "   'NRAS',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)']],\n",
       " ['vinblastine', ['EGFR', 'EGFR', 'HBEGF', 'EGFR', 'EGFR']],\n",
       " ['k784-3131',\n",
       "  ['EGFR',\n",
       "   'EGFR',\n",
       "   'EREG',\n",
       "   'AREG',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'PI3K-Akt signaling pathway']],\n",
       " ['hydroquinine', ['PI3K-Akt signaling pathway', 'AREG', 'EREG', 'KRAS']],\n",
       " ['oxalomalic-acid',\n",
       "  ['PI3K-Akt signaling pathway', 'EGFR', 'EGFR', 'KRAS', 'EGFL6']],\n",
       " ['brd-a81282034',\n",
       "  ['EREG',\n",
       "   'AREG',\n",
       "   'TGFA',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)',\n",
       "   'PI3K-Akt signaling pathway']],\n",
       " ['brd-a94381689', ['PI3K-Akt signaling pathway', 'VEGFA']],\n",
       " ['brd-k00430421',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'HBEGF',\n",
       "   'VEGFA',\n",
       "   'VEGFC',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'positive regulation of ERK1 and ERK2 cascade (GO:0070374)',\n",
       "   'negative regulation of ERK1 and ERK2 cascade (GO:0070373)',\n",
       "   'ERK1 and ERK2 cascade (GO:0070371)']],\n",
       " ['ag-14361',\n",
       "  ['AREG', 'EREG', 'HBEGF', 'KRAS', 'MEGF9', 'PI3K-Akt signaling pathway']],\n",
       " ['brd-k00863322',\n",
       "  ['PI3K-Akt signaling pathway', 'VEGF signaling pathway', 'KRAS']],\n",
       " ['nsc-663284', ['AREG', 'HBEGF', 'VEGFA']],\n",
       " ['ryuvidine',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'HBEGF',\n",
       "   'VEGFA',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)']],\n",
       " ['narciclasine', ['AREG', 'VEGFA', 'EGFR', 'EGFR']],\n",
       " ['benzo(a)pyrene',\n",
       "  ['EGFR',\n",
       "   'EGFR',\n",
       "   'AREG',\n",
       "   'EREG',\n",
       "   'VEGFA',\n",
       "   'KRAS',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'positive regulation of ERK1 and ERK2 cascade (GO:0070374)']],\n",
       " ['tosyllysyl-chloromethyl-ketone',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'EREG',\n",
       "   'TGFA',\n",
       "   'HBEGF',\n",
       "   'MEGF9',\n",
       "   'VEGFA',\n",
       "   'EGFL6',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'PI3K-Akt signaling pathway']],\n",
       " ['brd-k14027855', ['EGFR', 'EGFR', 'TGFA', 'VEGFA']],\n",
       " ['brd-k14355517', ['AREG', 'EGFR', 'EGFR']],\n",
       " ['ku-c104493', ['AREG', 'EREG', 'HBEGF']],\n",
       " ['i-606051',\n",
       "  ['HBEGF',\n",
       "   'VEGFA',\n",
       "   'EGFL6',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)',\n",
       "   'negative regulation of ERK1 and ERK2 cascade (GO:0070373)',\n",
       "   'ERK1 and ERK2 cascade (GO:0070371)']],\n",
       " ['parthenolide',\n",
       "  ['EREG',\n",
       "   'AREG',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'negative regulation of ERK1 and ERK2 cascade (GO:0070373)',\n",
       "   'PI3K-Akt signaling pathway']],\n",
       " ['mycophenolic-acid',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'HBEGF',\n",
       "   'KRAS',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)']],\n",
       " ['brd-k33045404',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'AREG',\n",
       "   'EREG',\n",
       "   'TGFA',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'negative regulation of ERK1 and ERK2 cascade (GO:0070373)']],\n",
       " ['rjc-00245sc',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'EREG',\n",
       "   'TGFA',\n",
       "   'HBEGF',\n",
       "   'VEGFA',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)',\n",
       "   'negative regulation of ERK1 and ERK2 cascade (GO:0070373)']],\n",
       " ['way-170523',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'AREG',\n",
       "   'VEGFA',\n",
       "   'EREG',\n",
       "   'EGF',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'positive regulation of ERK1 and ERK2 cascade (GO:0070374)']],\n",
       " ['nvp-auy922',\n",
       "  ['HBEGF',\n",
       "   'AREG',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'negative regulation of ERK1 and ERK2 cascade (GO:0070373)',\n",
       "   'PI3K-Akt signaling pathway']],\n",
       " ['brd-k50746423',\n",
       "  ['EGFR',\n",
       "   'EGFR',\n",
       "   'MEGF9',\n",
       "   'EREG',\n",
       "   'VEGFC',\n",
       "   'TGFA',\n",
       "   'PI3K-Akt signaling pathway']],\n",
       " ['brd-k74623475', ['PI3K-Akt signaling pathway', 'AREG', 'HBEGF']],\n",
       " ['brd-k78843060', ['PERK-mediated unfolded protein response (GO:0036499)']],\n",
       " ['', []],\n",
       " ['i-070759',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'AREG',\n",
       "   'EREG',\n",
       "   'HBEGF',\n",
       "   'VEGFA',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)']],\n",
       " ['fu-jmbii227b', ['EREG', 'AREG', 'PI3K-Akt signaling pathway']],\n",
       " ['scopolamine',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'TGFA',\n",
       "   'VEGFA',\n",
       "   'HBEGF',\n",
       "   'TGFA',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'AREG',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)',\n",
       "   'TGFA',\n",
       "   'HBEGF',\n",
       "   'EREG',\n",
       "   'TGFA',\n",
       "   'HBEGF',\n",
       "   'EREG']],\n",
       " ['tcs-359', ['EGFR', 'EGFR', 'VEGFA']],\n",
       " ['ikk-inhibitor-x',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'VEGFA',\n",
       "   'TGFA',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'positive regulation of ERK1 and ERK2 cascade (GO:0070374)']],\n",
       " ['xl-147',\n",
       "  ['AREG',\n",
       "   'EREG',\n",
       "   'negative regulation of ERK1 and ERK2 cascade (GO:0070373)']],\n",
       " ['alvespimycin',\n",
       "  ['EGFR',\n",
       "   'EGFR',\n",
       "   'VEGFA',\n",
       "   'TGFA',\n",
       "   'NRAS',\n",
       "   'KRAS',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'EGF',\n",
       "   'TGFA',\n",
       "   'NRAS',\n",
       "   'EREG',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'EGF',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'VEGFA',\n",
       "   'EGFR',\n",
       "   'EGFR']],\n",
       " ['vinorelbine', ['PI3K-Akt signaling pathway', 'EGFR', 'EGFR']],\n",
       " ['rosuvastatin', ['HBEGF', 'EGF', 'VEGFA', 'EGF']],\n",
       " ['1-ter-butyl-3-p-tolyl-1h-pyrazolo[3,4-d]pyrimidin-4-ylamine',\n",
       "  ['VEGFA', 'EREG', 'PI3K-Akt signaling pathway']],\n",
       " ['sa-3676',\n",
       "  ['EGFR',\n",
       "   'EGFR',\n",
       "   'AREG',\n",
       "   'EREG',\n",
       "   'TGFA',\n",
       "   'HBEGF',\n",
       "   'VEGFA',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)']],\n",
       " ['flumetasone',\n",
       "  ['EGFR',\n",
       "   'EGFR',\n",
       "   'KRAS',\n",
       "   'MEGF9',\n",
       "   'HBEGF',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'positive regulation of ERK1 and ERK2 cascade (GO:0070374)']],\n",
       " ['methyltestosterone', ['EGFR', 'EGFR', 'AREG', 'EGF', 'EREG']],\n",
       " ['bvt-948',\n",
       "  ['EGFR',\n",
       "   'EGFR',\n",
       "   'AREG',\n",
       "   'HBEGF',\n",
       "   'VEGFA',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)']],\n",
       " ['megestrol',\n",
       "  ['EGFR',\n",
       "   'EGFR',\n",
       "   'KRAS',\n",
       "   'VEGFA',\n",
       "   'HBEGF',\n",
       "   'EGFL6',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'positive regulation of ERK1 and ERK2 cascade (GO:0070374)']],\n",
       " ['flurofamide', ['HBEGF', 'AREG', 'PI3K-Akt signaling pathway']],\n",
       " ['alpha-linolenic acid', ['VEGFA', 'VEGFB', 'KRAS', 'VEGFA', 'CERK']],\n",
       " ['metixene',\n",
       "  ['EGFR',\n",
       "   'EGFR',\n",
       "   'EREG',\n",
       "   'CERK',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'PI3K-Akt signaling pathway']],\n",
       " ['rosiglitazone',\n",
       "  ['VEGFA',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'VEGFB',\n",
       "   'PI3K-Akt signaling pathway',\n",
       "   'AREG',\n",
       "   'EREG',\n",
       "   'TGFA',\n",
       "   'EGFL6',\n",
       "   'VEGFD']],\n",
       " ['ketorolac',\n",
       "  ['AREG',\n",
       "   'HBEGF',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'VEGFA',\n",
       "   'TGFA',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'VEGFB',\n",
       "   'TGFA',\n",
       "   'EREG',\n",
       "   'EREG',\n",
       "   'PI3K-Akt signaling pathway']],\n",
       " ['fluticasone propionate',\n",
       "  ['VEGFC',\n",
       "   'VEGFA',\n",
       "   'VEGFA',\n",
       "   'EGF',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'TGFA',\n",
       "   'EGF',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'VEGFA',\n",
       "   'TGFA']],\n",
       " ['chloroquine', ['MEGF9', 'AREG', 'KRAS', 'EGFR', 'EGFR']],\n",
       " ['irinotecan',\n",
       "  ['EGFR',\n",
       "   'EGFR',\n",
       "   'NRAS',\n",
       "   'TGFA',\n",
       "   'KRAS',\n",
       "   'PI3K-Akt signaling pathway',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'AREG',\n",
       "   'EREG',\n",
       "   'TGFA',\n",
       "   'HBEGF',\n",
       "   'TGFA',\n",
       "   'KRAS',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'KRAS',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'VEGFA',\n",
       "   'KRAS',\n",
       "   'EREG',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'KRAS']],\n",
       " ['thalidomide',\n",
       "  ['VEGFA', 'EGFR', 'EGFR', 'EGF', 'MEGF9', 'VEGFA', 'TGFA', 'NRAS', 'VEGFA']],\n",
       " ['tegaserod',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'AREG',\n",
       "   'EREG',\n",
       "   'HBEGF',\n",
       "   'VEGFA',\n",
       "   'VEGFA',\n",
       "   'TGFA',\n",
       "   'TGFA',\n",
       "   'EGF',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)']],\n",
       " ['moclobemide', ['EGFR', 'EGFR', 'TGFA', 'MEGF8']],\n",
       " ['practolol',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'AREG',\n",
       "   'VEGFA',\n",
       "   'CERK',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'CERK']],\n",
       " ['carbenoxolone',\n",
       "  ['HBEGF',\n",
       "   'PI3K-Akt signaling pathway',\n",
       "   'VEGF signaling pathway',\n",
       "   'KRAS',\n",
       "   'VEGFA',\n",
       "   'EREG',\n",
       "   'EREG']],\n",
       " ['4-(3,14-dihydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-5h-furan-2-one',\n",
       "  ['AREG', 'EREG']],\n",
       " ['9-hydroxy-4-phenyl-6h-pyrrolo[3,4-c]carbazole-1,3-dione',\n",
       "  ['HBEGF',\n",
       "   'KRAS',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'PI3K-Akt signaling pathway']],\n",
       " ['vx-702',\n",
       "  ['EGFR',\n",
       "   'EGFR',\n",
       "   'VEGFA',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)']],\n",
       " ['plinabulin',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'AREG',\n",
       "   'HBEGF',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)']],\n",
       " ['anisomycin',\n",
       "  ['EGFR',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'KRAS',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'EGF',\n",
       "   'EGF',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)']],\n",
       " ['nocodazole',\n",
       "  ['EGFR',\n",
       "   'EGFR',\n",
       "   'PI3K-Akt signaling pathway',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'AREG',\n",
       "   'HBEGF',\n",
       "   'EGF',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)']],\n",
       " ['carmofur',\n",
       "  ['PI3K-Akt signaling pathway', 'AREG', 'VEGFA', 'EGFR', 'EGFR', 'MEGF10']],\n",
       " ['mosapride',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'positive regulation of ERK1 and ERK2 cascade (GO:0070374)']],\n",
       " ['benperidol',\n",
       "  ['VEGFB',\n",
       "   'MEGF8',\n",
       "   'PI3K-Akt signaling pathway',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'AREG',\n",
       "   'EREG',\n",
       "   'HBEGF']],\n",
       " ['isoflupredone acetate',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'AREG',\n",
       "   'VEGFA',\n",
       "   'VEGFC',\n",
       "   'VEGFB',\n",
       "   'VEGFA',\n",
       "   'EREG',\n",
       "   'VEGFB',\n",
       "   'MEGF10',\n",
       "   'VEGFD',\n",
       "   'VEGFB',\n",
       "   'VEGFA']],\n",
       " ['xanthohumol',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'TGFA',\n",
       "   'VEGFA',\n",
       "   'VEGFA',\n",
       "   'TGFA',\n",
       "   'KRAS',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'EGF',\n",
       "   'TGFA',\n",
       "   'EGF',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'VEGFA',\n",
       "   'VEGFB',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'TGFA']],\n",
       " ['sb-218078', ['EREG', 'TGFA', 'HBEGF', 'PI3K-Akt signaling pathway']],\n",
       " ['ipratropium', ['PI3K-Akt signaling pathway', 'TGFA']],\n",
       " ['ambelline', ['EGFR', 'EGFR']],\n",
       " ['triciribine',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'AREG',\n",
       "   'EREG',\n",
       "   'HBEGF',\n",
       "   'VEGFA',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)',\n",
       "   'PI3K-Akt signaling pathway']],\n",
       " ['nutlin-3', ['PI3K-Akt signaling pathway', 'AREG', 'TGFA', 'HBEGF']],\n",
       " ['brefeldin-a',\n",
       "  ['MEGF9',\n",
       "   'TGFA',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'negative regulation of ERK1 and ERK2 cascade (GO:0070373)',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)',\n",
       "   'PI3K-Akt signaling pathway']],\n",
       " ['etoposide',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'AREG',\n",
       "   'EREG',\n",
       "   'TGFA',\n",
       "   'HBEGF',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)']],\n",
       " ['bax-channel-blocker',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'AREG',\n",
       "   'EREG',\n",
       "   'TGFA',\n",
       "   'KRAS',\n",
       "   'VEGFA',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)']],\n",
       " ['vinpocetine', ['VEGFA', 'KRAS', 'TGFA']],\n",
       " ['vinblastine', ['PI3K-Akt signaling pathway', 'EGFR', 'EGFR', 'VEGFA']],\n",
       " ['brd-a24021119',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'AREG',\n",
       "   'TGFA',\n",
       "   'VEGFA',\n",
       "   'EREG']],\n",
       " ['saclofen', ['EREG', 'AREG', 'PI3K-Akt signaling pathway']],\n",
       " ['at-sumo-1',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'MEGF9',\n",
       "   'EREG',\n",
       "   'AREG',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)']],\n",
       " ['camptothecin',\n",
       "  ['EGFR',\n",
       "   'EGFR',\n",
       "   'KRAS',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'ERK1 and ERK2 cascade (GO:0070371)',\n",
       "   'PI3K-Akt signaling pathway']],\n",
       " ['homosalate', ['PI3K-Akt signaling pathway', 'AREG', 'HBEGF', 'VEGFC']],\n",
       " ['fludrocortisone',\n",
       "  ['PI3K-Akt signaling pathway', 'AREG', 'VEGFA', 'HBEGF', 'VEGFA']],\n",
       " ['radicicol', ['EGFL6', 'EREG', 'AREG']],\n",
       " ['brd-a47816767', ['EGFR', 'EGFR', 'AREG', 'TGFA']],\n",
       " ['', []],\n",
       " ['ib-meca', ['AREG', 'PI3K-Akt signaling pathway']],\n",
       " ['cucurbitacin-i',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'EREG',\n",
       "   'HBEGF',\n",
       "   'VEGFA',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)']],\n",
       " ['brd-a49848186',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)']],\n",
       " ['withaferin-a',\n",
       "  ['PI3K-Akt signaling pathway', 'TGFA', 'HBEGF', 'KRAS', 'VEGFA']],\n",
       " ['ingenol',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'AREG',\n",
       "   'TGFA',\n",
       "   'HBEGF',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'positive regulation of ERK1 and ERK2 cascade (GO:0070374)']],\n",
       " ['kf-38789', ['EREG', 'TGFA', 'EGFL6']],\n",
       " ['cgp-54626', ['AREG']],\n",
       " ['vincristine', ['PI3K-Akt signaling pathway', 'EGFR', 'EGFR']],\n",
       " ['tremulacin', ['PI3K-Akt signaling pathway', 'AREG']],\n",
       " ['cycloheximide', ['HBEGF']],\n",
       " ['clobetasol',\n",
       "  ['AREG', 'EGF', 'EGF', 'EGFR', 'EGFR', 'PI3K-Akt signaling pathway']],\n",
       " ['brd-a63949900', ['PI3K-Akt signaling pathway', 'AREG', 'EREG', 'VEGFC']],\n",
       " ['', []],\n",
       " ['f-1061-0166', ['VEGFA', 'EREG', 'AREG']],\n",
       " ['manumycin-a', ['HBEGF', 'EREG', 'AREG']],\n",
       " ['emf-sumo1-11',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'EREG',\n",
       "   'MEGF9',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)']],\n",
       " ['floxuridine',\n",
       "  ['EGFR',\n",
       "   'EGFR',\n",
       "   'EREG',\n",
       "   'VEGFA',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'positive regulation of ERK1 and ERK2 cascade (GO:0070374)']],\n",
       " ['clofarabine', ['EGFR', 'EGFR', 'AREG', 'EREG', 'HBEGF', 'EGF']],\n",
       " ['emf-sumo1-39',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'AREG',\n",
       "   'HBEGF',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)']],\n",
       " ['cvf-sumo-14',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'VEGFA',\n",
       "   'EREG',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)',\n",
       "   'ERK1 and ERK2 cascade (GO:0070371)']],\n",
       " ['brd-k00289828', ['EREG', 'AREG']],\n",
       " ['brd-k00954209',\n",
       "  ['HBEGF',\n",
       "   'EREG',\n",
       "   'AREG',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'positive regulation of ERK1 and ERK2 cascade (GO:0070374)',\n",
       "   'PI3K-Akt signaling pathway']],\n",
       " ['brd-k01121114',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'AREG',\n",
       "   'HBEGF',\n",
       "   'VEGFA',\n",
       "   'MEGF9',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)']],\n",
       " ['brd-k01614657',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'AREG',\n",
       "   'EREG',\n",
       "   'VEGFA',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)']],\n",
       " ['brd-k03176945', ['EREG', 'EGFR', 'EGFR']],\n",
       " ['brd-k03857568', ['PI3K-Akt signaling pathway', 'HBEGF']],\n",
       " ['sb-222200', ['EREG', 'AREG', 'TGFA', 'PI3K-Akt signaling pathway']],\n",
       " ['gsk-1904529a', ['PI3K-Akt signaling pathway', 'EGFR', 'EGFR', 'AREG']],\n",
       " ['brd-k05402890',\n",
       "  ['PI3K-Akt signaling pathway', 'EGFR', 'EGFR', 'EREG', 'EGFL6']],\n",
       " ['az-628',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'EGF',\n",
       "   'EREG',\n",
       "   'TGFA',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'positive regulation of ERK1 and ERK2 cascade (GO:0070374)',\n",
       "   'negative regulation of ERK1 and ERK2 cascade (GO:0070373)']],\n",
       " ['brd-k06956503', ['KRAS', 'VEGFA', 'EGFR', 'EGFR']],\n",
       " ['brd-k07023879',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'AREG',\n",
       "   'VEGFC',\n",
       "   'CERK',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)']],\n",
       " ['brd-k08463963', ['TGFA', 'MEGF9', 'ERK1 and ERK2 cascade (GO:0070371)']],\n",
       " ['sr-57227a', ['PI3K-Akt signaling pathway', 'EREG', 'VEGFA', 'HBEGF']],\n",
       " ['nu-7026',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'EREG',\n",
       "   'TGFA',\n",
       "   'HBEGF',\n",
       "   'VEGFA',\n",
       "   'EGF',\n",
       "   'ERK1 and ERK2 cascade (GO:0070371)']],\n",
       " ['bms-345541', ['PI3K-Akt signaling pathway', 'KRAS']],\n",
       " ['obatoclax',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'AREG',\n",
       "   'HBEGF',\n",
       "   'VEGFC',\n",
       "   'NRAS',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'KRAS',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'negative regulation of ERK1 and ERK2 cascade (GO:0070373)']],\n",
       " ['brd-k16331660',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'AREG',\n",
       "   'EREG',\n",
       "   'VEGFA',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'positive regulation of ERK1 and ERK2 cascade (GO:0070374)',\n",
       "   'negative regulation of ERK1 and ERK2 cascade (GO:0070373)']],\n",
       " ['brd-k16541732',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'AREG',\n",
       "   'EREG',\n",
       "   'VEGFA',\n",
       "   'VEGFC',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)']],\n",
       " ['st-4029573', ['AREG', 'KRAS']],\n",
       " ['daunorubicin',\n",
       "  ['ERK1 and ERK2 cascade (GO:0070371)',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'PI3K-Akt signaling pathway']],\n",
       " ['brd-k18726304',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'AREG',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)']],\n",
       " ['ku-c104224',\n",
       "  ['EREG',\n",
       "   'TGFA',\n",
       "   'HBEGF',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)']],\n",
       " ['lavendustin-a', ['PI3K-Akt signaling pathway', 'EGFR', 'EGFR', 'NRAS']],\n",
       " ['ym-155',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'AREG',\n",
       "   'EREG',\n",
       "   'TGFA',\n",
       "   'HBEGF',\n",
       "   'VEGFA',\n",
       "   'CERK',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'negative regulation of ERK1 and ERK2 cascade (GO:0070373)',\n",
       "   'ERK1 and ERK2 cascade (GO:0070371)']],\n",
       " ['piceatannol', ['EGFR', 'EGFR', 'MEGF9', 'HBEGF']],\n",
       " ['bix-01294', ['AREG', 'EREG']],\n",
       " ['km-03949sc',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)']],\n",
       " ['brd-k28293491',\n",
       "  ['HBEGF',\n",
       "   'AREG',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'negative regulation of ERK1 and ERK2 cascade (GO:0070373)',\n",
       "   'ERK1 and ERK2 cascade (GO:0070371)']],\n",
       " ['ran-05',\n",
       "  ['PI3K-Akt signaling pathway', 'AREG', 'EREG', 'KRAS', 'VEGFC', 'VEGFA']],\n",
       " ['brd-k28916077',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'AREG',\n",
       "   'HBEGF',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'positive regulation of ERK1 and ERK2 cascade (GO:0070374)',\n",
       "   'ERK1 and ERK2 cascade (GO:0070371)']],\n",
       " ['mw-stk33-2a', ['EREG', 'PI3K-Akt signaling pathway']],\n",
       " ['', []],\n",
       " ['cgp-53353',\n",
       "  ['PI3K-Akt signaling pathway', 'AREG', 'HBEGF', 'VEGFA', 'VEGFC']],\n",
       " ['ver-155008', ['VEGFA', 'VEGFC', 'TGFA', 'PI3K-Akt signaling pathway']],\n",
       " ['brd-k32944375', ['PI3K-Akt signaling pathway', 'AREG']],\n",
       " ['inca-6',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'AREG',\n",
       "   'EREG',\n",
       "   'HBEGF',\n",
       "   'MEGF9',\n",
       "   'PI3K-Akt signaling pathway']],\n",
       " ['brd-k33926001', ['PI3K-Akt signaling pathway', 'VEGFA', 'EGFL6']],\n",
       " ['naproxol', ['PI3K-Akt signaling pathway', 'AREG', 'HBEGF', 'VEGFA']],\n",
       " ['brd-k34968258',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'AREG',\n",
       "   'EREG',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'positive regulation of ERK1 and ERK2 cascade (GO:0070374)']],\n",
       " ['sa-247714', ['AREG', 'TGFA']],\n",
       " ['vu-0365114-2',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'AREG',\n",
       "   'EREG',\n",
       "   'TGFA',\n",
       "   'HBEGF',\n",
       "   'VEGFA']],\n",
       " ['tyrphostin-a9',\n",
       "  ['EGFL6',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)',\n",
       "   'PI3K-Akt signaling pathway',\n",
       "   'VEGF signaling pathway']],\n",
       " ['ku-c104337',\n",
       "  ['VEGFA', 'PERK-mediated unfolded protein response (GO:0036499)']],\n",
       " ['brd-k41652870',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'EREG',\n",
       "   'HBEGF',\n",
       "   'VEGFA',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)']],\n",
       " ['suloctidil',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'AREG',\n",
       "   'HBEGF',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)']],\n",
       " ['gsk-2126458', ['AREG', 'EREG']],\n",
       " ['vu-0418946-1', ['PI3K-Akt signaling pathway', 'TGFA', 'VEGFA']],\n",
       " ['brd-k44484254',\n",
       "  ['EGFL6', 'KRAS', 'AREG', 'EGFR', 'EGFR', 'PI3K-Akt signaling pathway']],\n",
       " ['u0126',\n",
       "  ['KRAS',\n",
       "   'VEGFA',\n",
       "   'HBEGF',\n",
       "   'EREG',\n",
       "   'AREG',\n",
       "   'TGFA',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'negative regulation of ERK1 and ERK2 cascade (GO:0070373)',\n",
       "   'PI3K-Akt signaling pathway']],\n",
       " ['ki-8751',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'HBEGF',\n",
       "   'VEGFA',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)']],\n",
       " ['tyrphostin-51', ['PI3K-Akt signaling pathway', 'TGFA', 'EGF', 'AREG']],\n",
       " ['cgs-15943', ['PI3K-Akt signaling pathway', 'AREG', 'TGFA']],\n",
       " ['tyrphostin-ag-18', ['EGFR', 'EGFR', 'AREG', 'HBEGF']],\n",
       " ['brd-k50634134', ['KRAS', 'EREG', 'AREG', 'TGFA']],\n",
       " ['brd-k51608872',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'VEGFA',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'positive regulation of ERK1 and ERK2 cascade (GO:0070374)',\n",
       "   'ERK1 and ERK2 cascade (GO:0070371)']],\n",
       " ['brd-k53932786',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'AREG',\n",
       "   'CERK',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)']],\n",
       " ['spiperone',\n",
       "  ['EGFL6',\n",
       "   'CERK',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'negative regulation of ERK1 and ERK2 cascade (GO:0070373)']],\n",
       " ['brd-k55487965',\n",
       "  ['EREG', 'AREG', 'PI3K-Akt signaling pathway', 'VEGF signaling pathway']],\n",
       " ['brd-k55844427',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'AREG',\n",
       "   'HBEGF',\n",
       "   'VEGFA',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'positive regulation of ERK1 and ERK2 cascade (GO:0070374)',\n",
       "   'negative regulation of ERK1 and ERK2 cascade (GO:0070373)',\n",
       "   'ERK1 and ERK2 cascade (GO:0070371)']],\n",
       " ['azauridine', ['AREG']],\n",
       " ['yc-1', ['EREG', 'EGFR', 'EGFR', 'MEGF9']],\n",
       " ['brd-k61717269',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'TGFA',\n",
       "   'VEGFA',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)']],\n",
       " ['scoulerine', ['AREG', 'EGF']],\n",
       " ['brd-k63245238', ['EGFR', 'EGFR']],\n",
       " ['brd-k63770300', ['PI3K-Akt signaling pathway', 'AREG', 'EGF']],\n",
       " ['quinoclamine',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'AREG',\n",
       "   'EREG',\n",
       "   'TGFA',\n",
       "   'VEGFC',\n",
       "   'EGFL6']],\n",
       " ['sib-1893', ['AREG']],\n",
       " ['brd-k68313733', ['VEGFA', 'EGFL6', 'EREG', 'EGF']],\n",
       " ['brd-k68548958', ['EGFR', 'EGFR']],\n",
       " ['brd-k68588778',\n",
       "  ['VEGFA',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'EGF',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'positive regulation of ERK1 and ERK2 cascade (GO:0070374)',\n",
       "   'ERK1 and ERK2 cascade (GO:0070371)',\n",
       "   'PI3K-Akt signaling pathway']],\n",
       " ['brd-k69304050', ['EREG', 'EGF', 'PI3K-Akt signaling pathway']],\n",
       " ['f-1566-0341',\n",
       "  ['PI3K-Akt signaling pathway', 'TGFA', 'HBEGF', 'EGFR', 'EGFR']],\n",
       " ['u-99194', ['TGFA', 'HBEGF', 'EGFL6']],\n",
       " ['brd-k72462751', ['EGF']],\n",
       " ['brd-k73610817', ['EGFR', 'EGFR', 'TGFA', 'HBEGF', 'VEGFA', 'EREG']],\n",
       " ['brd-k74690444',\n",
       "  ['PI3K-Akt signaling pathway', 'AREG', 'EREG', 'HBEGF', 'VEGFA', 'EGFL6']],\n",
       " ['hnha',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'EREG',\n",
       "   'VEGFC',\n",
       "   'VEGFA',\n",
       "   'MEGF9',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'positive regulation of ERK1 and ERK2 cascade (GO:0070374)']],\n",
       " ['brd-k78388870', ['PI3K-Akt signaling pathway', 'AREG', 'EREG']],\n",
       " ['cgp-60474', ['EGFL6']],\n",
       " ['indolophenanthridine', ['VEGFC']],\n",
       " ['brd-k79390395',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'TGFA',\n",
       "   'VEGFA',\n",
       "   'AREG',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)']],\n",
       " ['brd-k80346834', ['HBEGF', 'EREG']],\n",
       " ['stk-397047',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'HBEGF',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)']],\n",
       " ['brd-k81609421', ['PI3K-Akt signaling pathway', 'AREG', 'EREG', 'EGFL6']],\n",
       " ['jl-7-128', ['TGFA', 'KRAS', 'HBEGF', 'EGFR', 'EGFR']],\n",
       " ['nnc-05-2090', ['HBEGF', 'TGFA', 'EGF']],\n",
       " ['dovitinib',\n",
       "  ['AREG',\n",
       "   'EREG',\n",
       "   'EGF',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'VEGFA',\n",
       "   'KRAS',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'PI3K-Akt signaling pathway']],\n",
       " ['brd-k88329126',\n",
       "  ['EGFR',\n",
       "   'EGFR',\n",
       "   'VEGFA',\n",
       "   'MEGF9',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)']],\n",
       " ['vu-0418934-2',\n",
       "  ['PI3K-Akt signaling pathway', 'EGFR', 'EGFR', 'TGFA', 'VEGFA']],\n",
       " ['brd-k89224880',\n",
       "  ['PI3K-Akt signaling pathway', 'EGFR', 'EGFR', 'TGFA', 'HBEGF', 'VEGFA']],\n",
       " ['prostratin',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'AREG',\n",
       "   'EREG',\n",
       "   'TGFA',\n",
       "   'HBEGF',\n",
       "   'VEGFA',\n",
       "   'VEGFC',\n",
       "   'MEGF9',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'positive regulation of ERK1 and ERK2 cascade (GO:0070374)']],\n",
       " ['brd-k92158425', ['AREG', 'EREG']],\n",
       " ['', []],\n",
       " ['ala-ala-phe-cmk', ['VEGFA', 'EREG', 'AREG', 'PI3K-Akt signaling pathway']],\n",
       " ['erk-inhibitor-11e',\n",
       "  ['VEGFA', 'HBEGF', 'EREG', 'AREG', 'TGFA', 'PI3K-Akt signaling pathway']],\n",
       " ['i-505056',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'AREG',\n",
       "   'EREG',\n",
       "   'TGFA',\n",
       "   'HBEGF',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)']],\n",
       " ['tws-119',\n",
       "  ['VEGFA',\n",
       "   'HBEGF',\n",
       "   'AREG',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'positive regulation of ERK1 and ERK2 cascade (GO:0070374)',\n",
       "   'negative regulation of ERK1 and ERK2 cascade (GO:0070373)',\n",
       "   'PI3K-Akt signaling pathway']],\n",
       " ['spiramide',\n",
       "  ['EGFR',\n",
       "   'EGFR',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'PI3K-Akt signaling pathway']],\n",
       " ['brd-k95196255', ['EGFR', 'EGFR', 'AREG', 'TGFA', 'HBEGF', 'VEGFA']],\n",
       " ['maz-51', ['AREG', 'EREG', 'EGFL6']],\n",
       " ['sa-25547',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'VEGFA',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)']],\n",
       " ['tubaic-acid', ['AREG', 'EREG']],\n",
       " ['pifithrin-mu',\n",
       "  ['PERK-mediated unfolded protein response (GO:0036499)',\n",
       "   'ERK1 and ERK2 cascade (GO:0070371)']],\n",
       " ['skf-86002',\n",
       "  ['AREG', 'HBEGF', 'PERK-mediated unfolded protein response (GO:0036499)']],\n",
       " ['src-kinase-inhibitor-ii',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'EGFR',\n",
       "   'EGFR',\n",
       "   'AREG',\n",
       "   'EREG',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'PERK-mediated unfolded protein response (GO:0036499)',\n",
       "   'negative regulation of ERK1 and ERK2 cascade (GO:0070373)']],\n",
       " ['brd-k97936712',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'EGF',\n",
       "   'MEGF9',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'ERK1 and ERK2 cascade (GO:0070371)']],\n",
       " ['brd-k98173387',\n",
       "  ['PI3K-Akt signaling pathway', 'TGFA', 'VEGFA', 'EGFL6', 'EGFR', 'EGFR']],\n",
       " ['brd-k98824517',\n",
       "  ['PI3K-Akt signaling pathway',\n",
       "   'HBEGF',\n",
       "   'VEGFA',\n",
       "   'CERK',\n",
       "   'regulation of ERK1 and ERK2 cascade (GO:0070372)',\n",
       "   'ERK1 and ERK2 cascade (GO:0070371)']],\n",
       " ['brd-k99633092',\n",
       "  ['PERK-mediated unfolded protein response (GO:0036499)',\n",
       "   'ERK1 and ERK2 cascade (GO:0070371)']]]"
      ]
     },
     "execution_count": 6,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "search_terms = [\"ERK\", \"EGF\", \"TGFA\", \"EREG\", \"AREG\", \"EGFR\", \"KRAS\", \"NRAS\", \"PI3K\", \"RalGDS\"]\n",
    "output_drugs = suggest_drugs(search_terms)\n",
    "output_drugs"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 7,
   "id": "a86555d8",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>Drug</th>\n",
       "      <th>Associative count</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>pazopanib</td>\n",
       "      <td>12</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>ym-155</td>\n",
       "      <td>11</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>saracatinib</td>\n",
       "      <td>11</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>prostratin</td>\n",
       "      <td>11</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>irinotecan</td>\n",
       "      <td>10</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>304</th>\n",
       "      <td>brd-k62300190</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>305</th>\n",
       "      <td>brd-a04172077</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>306</th>\n",
       "      <td>azauridine</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>307</th>\n",
       "      <td>ambelline</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>308</th>\n",
       "      <td>7b-cis</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>309 rows × 2 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "              Drug  Associative count\n",
       "0        pazopanib                 12\n",
       "1           ym-155                 11\n",
       "2      saracatinib                 11\n",
       "3       prostratin                 11\n",
       "4       irinotecan                 10\n",
       "..             ...                ...\n",
       "304  brd-k62300190                  1\n",
       "305  brd-a04172077                  1\n",
       "306     azauridine                  1\n",
       "307      ambelline                  1\n",
       "308         7b-cis                  1\n",
       "\n",
       "[309 rows x 2 columns]"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Your top 5 suggested drugs: \n",
      "pazopanib\n",
      "which targets: \n",
      "['KRAS', 'NRAS', 'PERK-mediated unfolded protein response (GO:0036499)', 'regulation of ERK1 and ERK2 cascade (GO:0070372)', 'VEGFA', 'AREG', 'positive regulation of ERK1 and ERK2 cascade (GO:0070374)', 'EGF', 'VEGFB', 'VEGFR inhibitor', 'EGFR', 'TGFA']\n",
      "ym-155\n",
      "which targets: \n",
      "['ERK1 and ERK2 cascade (GO:0070371)', 'HBEGF', 'negative regulation of ERK1 and ERK2 cascade (GO:0070373)', 'regulation of ERK1 and ERK2 cascade (GO:0070372)', 'AREG', 'VEGFA', 'PI3K-Akt signaling pathway', 'EREG', 'CERK', 'EGFR', 'TGFA']\n",
      "saracatinib\n",
      "which targets: \n",
      "['HBEGF', 'VEGFC', 'KRAS', 'NRAS', 'AREG', 'VEGFA', 'PI3K-Akt signaling pathway', 'EGF', 'EREG', 'EGFR', 'TGFA']\n",
      "prostratin\n",
      "which targets: \n",
      "['HBEGF', 'VEGFC', 'regulation of ERK1 and ERK2 cascade (GO:0070372)', 'AREG', 'VEGFA', 'PI3K-Akt signaling pathway', 'positive regulation of ERK1 and ERK2 cascade (GO:0070374)', 'EREG', 'MEGF9', 'EGFR', 'TGFA']\n",
      "irinotecan\n",
      "which targets: \n",
      "['HBEGF', 'KRAS', 'NRAS', 'regulation of ERK1 and ERK2 cascade (GO:0070372)', 'AREG', 'VEGFA', 'PI3K-Akt signaling pathway', 'EREG', 'EGFR', 'TGFA']\n"
     ]
    }
   ],
   "source": [
    "lst2 = [item[0] for item in output_drugs]  # get names of all drugs. \n",
    "lst3 = [len(list(set((item[1])))) for item in output_drugs]  # count unique associations for each drug. \n",
    "\n",
    "ranked_names = [y for _, y in sorted(zip(lst3, lst2), reverse=True)]\n",
    "ranked_association_counts = [x for x, _ in sorted(zip(lst3, lst2), reverse=True)]\n",
    "\n",
    "while(\"\" in ranked_names):\n",
    "    ranked_names.remove(\"\")\n",
    "    \n",
    "while(0 in ranked_association_counts):\n",
    "    ranked_association_counts.remove(0)\n",
    "\n",
    "ranked_df = pd.DataFrame(\n",
    "    {'Drug': ranked_names,\n",
    "     'Associative count': ranked_association_counts,\n",
    "    })\n",
    "display(ranked_df)\n",
    "\n",
    "n = 5\n",
    "top_drugs = ranked_df.head(n)[\"Drug\"].tolist()\n",
    "\n",
    "print(\"Your top \" + str(n) + \" suggested drugs: \")\n",
    "for i in range(0, n):\n",
    "    name = top_drugs[i]\n",
    "    associations = list(filter(lambda record: record[0] == name, output_drugs))[0][1]\n",
    "    print(name)\n",
    "    print(\"which targets: \")\n",
    "    print(str(list(set(associations))))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 8,
   "id": "4b9baa5f",
   "metadata": {},
   "outputs": [],
   "source": [
    "# from IPython.display import display_html\n",
    "# from itertools import chain,cycle\n",
    "# def display_side_by_side(*args,titles=cycle([''])):\n",
    "#     html_str=''\n",
    "#     for df,title in zip(args, chain(titles,cycle(['</br>'])) ):\n",
    "#         html_str+='<th style=\"text-align:center\"><td style=\"vertical-align:top\">'\n",
    "#         html_str+=f'<h2>{title}</h2>'\n",
    "#         html_str+=df.to_html().replace('table','table style=\"display:inline\"')\n",
    "#         html_str+='</td></th>'\n",
    "#     display_html(html_str,raw=True)\n",
    "    \n",
    "# display_side_by_side(ranked_df),df2,df1, titles=['Foo','Foo Bar'])"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 9,
   "id": "1ee9a5e5",
   "metadata": {},
   "outputs": [],
   "source": [
    "# with open('empty_csc.xml') as f:\n",
    "#     lines = f.readlines()\n",
    "# # print(lines)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "da8f21bb",
   "metadata": {},
   "outputs": [],
   "source": []
  }
 ],
 "metadata": {
  "kernelspec": {
   "display_name": "Python 3",
   "language": "python",
   "name": "python3"
  },
  "language_info": {
   "codemirror_mode": {
    "name": "ipython",
    "version": 3
   },
   "file_extension": ".py",
   "mimetype": "text/x-python",
   "name": "python",
   "nbconvert_exporter": "python",
   "pygments_lexer": "ipython3",
   "version": "3.6.5"
  }
 },
 "nbformat": 4,
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}