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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: chemical; # of requested predictions: 20; Secondary interactions: no
Input drug 1: DB07002
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
1 Experimental SmallMoleculeDrug DB07002 4-({4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl}carbonyl)benzonitrile Thumb

1 known interactions (targets) of input drug (DB07002): 4-({4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl}carbonyl)benzonitrile
No. Gene UniProt ID Protein Name Pathway PDB
1 NOS2 P35228 Nitric oxide synthase, inducible hsa00220; hsa00330; hsa01100; hsa04020; hsa04066; hsa04146; hsa04371; hsa04926; hsa05132; hsa05133; hsa05140; hsa05142; hsa05145; hsa05146; hsa05152; hsa05200; hsa05222 1NSI; 2LL6; 2NSI; 3E7G; 3EJ8; 3HR4; 4CX7; 4NOS

15 predicted interactions (targets) of input drug (DB07002): 4-({4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl}carbonyl)benzonitrile
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 NOS3 P29474 Nitric oxide synthase, endothelial hsa00220; hsa00330; hsa01100; hsa04020; hsa04022; hsa04066; hsa04071; hsa04151; hsa04370; hsa04371; hsa04611; hsa04915; hsa04921; hsa04926; hsa04931; hsa04933; hsa05418 1M9J; 1M9K; 1M9M; 1M9Q; 1M9R; 1NIW; 2LL7; 2MG5; 3EAH; 3NOS; 4D1O; 4D1P 43.3%
2 NOS1 P29475 Nitric oxide synthase, brain hsa00220; hsa00330; hsa01100; hsa04020; hsa04145; hsa04371; hsa04713; hsa04730; hsa04926; hsa04970; hsa05010; hsa05014 4D1N; 4UCH; 4UH5; 4UH6; 4V3U; 5ADF; 5ADG; 5ADI 19.1%
3 CACNA1C Q13936 Voltage-dependent L-type calcium channel subunit alpha-1C hsa04010; hsa04020; hsa04022; hsa04024; hsa04260; hsa04261; hsa04270; hsa04713; hsa04720; hsa04723; hsa04724; hsa04725; hsa04726; hsa04727; hsa04728; hsa04742; hsa04911; hsa04912; hsa04921; hsa04924; hsa04925; hsa04927; hsa04930; hsa04934; hsa05010; hsa05031; hsa05410; hsa05412; hsa05414 1T0J; 2BE6; 2F3Y; 2F3Z; 2LQC; 3G43; 3OXQ 15.2%
4 OTC P00480 Ornithine carbamoyltransferase, mitochondrial hsa00220; hsa01100; hsa01230 1C9Y; 1EP9; 1FVO; 1OTH 14.3%
5 PLAU P00749 Urokinase-type plasminogen activator hsa04064; hsa04610; hsa05202; hsa05205; hsa05206; hsa05215 11.9%
6 POLB P06746 DNA polymerase beta hsa03410; hsa05166; hsa05203
1BPX; 1BPY; 1BPZ; 1MQ2; 1MQ3; 1TV9; 1TVA; 1ZJM; 1ZJN; 1ZQA; 1ZQB; 1ZQC; 1ZQD; 1ZQE; 1ZQF; 1ZQG; 1ZQH; 1ZQI; 1ZQJ; 1ZQK; 1ZQL; 1ZQM; 1ZQN; 1ZQO; 1ZQP; 1ZQQ; 1ZQR; 1ZQS; 1ZQT; 2FMP; 2FMQ; 2FMS; 2I9G; 2ISO; 2ISP; 2P66; 2PXI; 3C2K; 3C2L; 3C2M; 3GDX; 3ISB; 3ISC; 3ISD; 3JPN; 3JPO; 3JPP; 3JPQ; 3JPR; 3JPS; 3JPT; 3LK9; 3MBY; 3OGU; 3RH4; 3RH5; 3RH6; 3RJE; 3RJF; 3RJG; 3RJH; 3RJI; 3RJJ; 3RJK; 3TFR; 3TFS; 4DO9; 4DOA; 4DOB; 4DOC; 4F5N; 4F5O; 4F5P; 4F5Q; 4F5R; 4GXI; 4GXJ; 4GXK; 4JWM; 4JWN; 4KLD; 4KLE; 4KLF; 4KLG; 4KLH; 4KLI; 4KLJ; 4KLL; 4KLM; 4KLO; 4KLQ; 4KLS; 4KLT; 4KLU; 4LVS; 4M2Y; 4M47; 4M9G; 4M9H; 4M9J; 4M9L; 4M9N; 4MF2; 4MF8; 4MFA; 4MFC; 4MFF; 4NLK; 4NLN; 4NLZ; 4NM1; 4NM2; 4NXZ; 4NY8; 4O5C; 4O5E; 4O5K; 4O9M; 4P2H; 4PGQ; 4PGX; 4PGY; 4PH5; 4PHA; 4PHD; 4PHE; 4PHP; 4PPX; 4R63; 4R64; 4R65; 4R66; 4RPX; 4RPY; 4RPZ; 4RQ0; 4RQ1; 4RQ2; 4RQ3; 4RQ4; 4RQ5; 4RQ6; 4RQ7; 4RQ8; 4RT2; 4RT3; 4TUP; 4TUQ; 4TUR; 4TUS; 4UAW; 4UAY; 4UAZ; 4UB1; 4UB2; 4UB3; 4UB4; 4UB5; 4UBB; 4UBC; 5BOL; 5BOM; 5BPC; 5DB6; 5DB7; 5DB8; 5DB9; 5DBA; 5DBB; 5DBC; 7ICE; 7ICF; 7ICG; 7ICH; 7ICI; 7ICJ; 7ICK; 7ICL; 7ICM; 7ICN; 7ICO; 7ICP; 7ICQ; 7ICR; 7ICS; 7ICT; 7ICU; 7ICV; 8ICA; 8ICB; 8ICC; 8ICE; 8ICF; 8ICG; 8ICH; 8ICI; 8ICJ; 8ICK; 8ICL; 8ICM; 8ICN; 8ICO; 8ICP; 8ICQ; 8ICR; 8ICS; 8ICT; 8ICU; 8ICV; 8ICW; 8ICX; 8ICY; 8ICZ; 9ICA; 9ICB; 9ICC; 9ICE; 9ICF; 9ICG; 9ICH; 9ICI; 9ICJ; 9ICK; 9ICL; 9ICM; 9ICN; 9ICO; 9ICP; 9ICQ; 9ICR; 9ICS; 9ICT; 9ICU; 9ICV; 9ICW; 9ICX; 9ICY
7 PLA2G4A P47712 Cytosolic phospholipase A2 hsa00564; hsa00565; hsa00590; hsa00591; hsa00592; hsa01100; hsa04010; hsa04014; hsa04072; hsa04217; hsa04270; hsa04370; hsa04611; hsa04664; hsa04666; hsa04724; hsa04726; hsa04730; hsa04750; hsa04912; hsa04913; hsa04921; hsa05231 1BCI; 1CJY; 1RLW 11.3%
8 ODC1 P11926 Ornithine decarboxylase hsa00330; hsa00480; hsa01100 1D7K; 2ON3; 2OO0; 4ZGY 11.2%
9 ADA P00813 Adenosine deaminase hsa00230; hsa01100; hsa05340 1M7M; 3IAR 11.0%
10 PLA2G1B P04054 Phospholipase A2 hsa00564; hsa00565; hsa00590; hsa00591; hsa00592; hsa01100; hsa04014; hsa04270; hsa04972; hsa04975 1YSK; 3ELO 10.9%
11 FHIT P49789 Bis(5'-adenosyl)-triphosphatase hsa00230; hsa05222; hsa05223 1FHI; 1FIT; 2FHI; 2FIT; 3FIT; 4FIT; 5FIT; 6FIT 10.5%
12 KCNH7 Q9NS40 Potassium voltage-gated channel subfamily H member 7 NA NA 10.4%
13 KCNMB1 Q16558 Calcium-activated potassium channel subunit beta-1 hsa04022; hsa04270; hsa04911 NA 10.2%
14 VEGFA P15692 Vascular endothelial growth factor A hsa01521; hsa04010; hsa04014; hsa04015; hsa04066; hsa04151; hsa04370; hsa04510; hsa04926; hsa04933; hsa05163; hsa05165; hsa05167; hsa05200; hsa05205; hsa05206; hsa05211; hsa05212; hsa05219; hsa05323; hsa05418 10.1%
15 CCNA2 P20248 Cyclin-A2 hsa04110; hsa04152; hsa04218; hsa04914; hsa05161; hsa05165; hsa05169; hsa05203 10.1%


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.