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Network of interactions between drugs (red spheres) and targets (blue spheres) is displayed above.
The red lines are used for the predicted interactions and the thickness of edges indicate the confidence score of predictions.

Data source: DrugBank-all; Query type: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: Q15116
No. Gene UniProt ID Protein Name Pathway PDB
1 PDCD1 Q15116 Programmed cell death protein 1 hsa04514; hsa04660 2M2D; 3RRQ; 4ZQK

3 known interactions (drugs) of input target (PDCD1): Programmed cell death protein 1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
1 Approved BiotechDrug DB09037 Pembrolizumab Thumb
2 Investigational BiotechDrug DB05916 CT-011 Thumb
3 Approved BiotechDrug DB09035 Nivolumab Thumb

20 predicted interactions (drugs) of input target (PDCD1): Programmed cell death protein 1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image Confidence score
1 Approved SmallMoleculeDrug DB02659 Cholic Acid Thumb 24.7%
2 Experimental SmallMoleculeDrug DB04464 N-Formylmethionine Thumb 22.9%
3 Experimental SmallMoleculeDrug DB06905 (2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid Thumb 20.2%
4 Approved;
SmallMoleculeDrug DB03017 Lauric Acid Thumb 16.7%
5 Experimental SmallMoleculeDrug DB03461 2'-Monophosphoadenosine 5'-Diphosphoribose Thumb 16.2%
6 Approved;
SmallMoleculeDrug DB11638 Artenimol Thumb 16.2%
7 Approved SmallMoleculeDrug DB01406 Danazol Thumb 15.5%
8 Approved;
SmallMoleculeDrug DB00160 L-Alanine Thumb 15.3%
9 Investigational SmallMoleculeDrug DB05130 INCB3284 Thumb 15.3%
10 Investigational SmallMoleculeDrug DB05403 CEP-1347 Thumb 15.2%
11 Approved SmallMoleculeDrug DB00277 Theophylline Thumb 15.2%
12 ;
L-pyroglutamyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-D-Nim-benzyl-histidyl-L-leucyl-L-arginyl-L-proline ethylamide
SmallMoleculeDrug DB06788 Histrelin Thumb 15.2%
13 Experimental SmallMoleculeDrug DB07713 (1S)-1-{[(4'-methoxy-1,1'-biphenyl-4-yl)sulfonyl]amino}-2-methylpropylphosphonic acid Thumb 14.7%
14 Experimental SmallMoleculeDrug DB07207 2-(4-HYDROXY-5-PHENYL-1H-PYRAZOL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE Thumb 14.7%
15 Approved;
SmallMoleculeDrug DB12010 Fostamatinib Thumb 14.5%
16 Approved SmallMoleculeDrug DB11348 Calcium Phosphate Thumb 14.1%
17 Approved SmallMoleculeDrug DB11093 Calcium Citrate Thumb 13.9%
18 Approved SmallMoleculeDrug DB06785 Ganirelix Thumb 13.9%
19 Experimental SmallMoleculeDrug DB02509 Farnesol Thumb 13.9%
20 Approved;
SmallMoleculeDrug DB00157 NADH Thumb 13.7%


Reference:  Hongchun Li, Fen Pei, D. Lansing Taylor and Ivet Bahar. (2020) QuartataWeb: Integrated Chemical–Protein-Pathway Mapping for Polypharmacology and Chemogenomics. Bioinformatics 36(12), 3935–3937.


The QuartataWeb server is maintained by the Bahar Lab at the Department of Computational & Systems Biology at the University of Pittsburgh, School of Medicine, and sponsored by the NIH awards P41 GM103712 and P01 DK096990; and by the Li Lab at Research Center for Computer-Aided Drug Discovery at Shenzhen Institutes of Advanced Technology, CAS.

For questions and comments please contact Hongchun Li.