Python script to filter BLAST hits to ChEMBL, to just take hits to single-protein targets:

format_blastp_output_for_chembl_singleproteintargetsonly.py

import os
import sys
from collections import defaultdict
import FiftyHG_Chembl

#====================================================================#

def main():

    # find the blast output files:  
    blastoutput = defaultdict()
    mydir = os.getcwd() # the current directory
    myfiles = os.listdir(mydir)
    for myfile in myfiles:
        if myfile.endswith('.txt2'): # eg. schistosoma_mansoni.txt2
            # find the species name:
            temp = myfile.split('.txt2')
            species = temp[0] # eg. schistosoma_mansoni
            # read in the list of uniprot ids in chembl single-protein targets:
            singleproteintargetfile = os.path.join(mydir, 'chembl_single_protein_targets_uniprot_ids')
            assert(os.path.exists(singleproteintargetfile)) 
            singleproteintargets = FiftyHG_Chembl.read_single_protein_targets(singleproteintargetfile) # returns a set of uniprot ids in targets
            # parse and format this blast output file, to just take the blast matches to single-protein chembl targets:
            myfile = os.path.join(mydir, myfile)
            output_file = '%sb' % myfile 
            print('Making file',output_file)
            if not os.path.exists(output_file):  
                FiftyHG_Chembl.reformat_blast_output_singleproteintargetsonly(myfile,species,singleproteintargets,output_file)                 
 
#====================================================================#

if __name__=="__main__":
    main()

#====================================================================#