List of highly ranked unknown drug-protein pairs in ChEMBL.

Among all 270,540 drug-protein pairs from the ChEMBL data set, the top 50 unknown pairs determined by the KL1LR method using data sets were checked, and the unknown pair was listed if it was found in the STITCH [4], DrugBank [1], KEGG [2], BindingDB [36], and CTD [35] data sets. Drugs in the second column and proteins in the third column are likely to interact, based on the probabilities shown in the fourth column. If interactions are found in more than two data sets, only one source is listed. Similarly, the results obtained using chemical structure similarities are shown.