QuartataWeb
Home  |   About  |   Theory  |   Tutorials  |   FAQ  |   Bahar Lab  |   Statistics
 

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: DB06802
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Investigational		 SmallMoleculeDrug DB06802 Nepafenac Thumb


2 known interactions (targets) of input drug (DB06802): Nepafenac
No. Gene UniProt ID Protein Name Pathway PDB
1 PTGS1 P23219 Prostaglandin G/H synthase 1 hsa00590; hsa01100; hsa04611; hsa04726; hsa04923 NA
2 PTGS2 P35354 Prostaglandin G/H synthase 2 hsa00590; hsa01100; hsa04064; hsa04370; hsa04625; hsa04657; hsa04668; hsa04723; hsa04726; hsa04913; hsa04921; hsa04923; hsa05140; hsa05163; hsa05165; hsa05167; hsa05200; hsa05204; hsa05206; hsa05222 1V0X


20 predicted interactions (targets) of input drug (DB06802): Nepafenac
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 ALOX5 P09917 Arachidonate 5-lipoxygenase hsa00590; hsa01100; hsa04664; hsa04726; hsa04913; hsa05145 2ABV; 3O8Y; 3V92; 3V98; 3V99 24.1%
2 CHUK O15111 Inhibitor of nuclear factor kappa-B kinase subunit alpha hsa01523; hsa04010; hsa04014; hsa04062; hsa04064; hsa04068; hsa04150; hsa04151; hsa04210; hsa04380; hsa04620; hsa04621; hsa04622; hsa04623; hsa04625; hsa04657; hsa04658; hsa04659; hsa04660; hsa04662; hsa04668; hsa04920; hsa05120; hsa05131; hsa05142; hsa05145; hsa05160; hsa05161; hsa05162; hsa05163; hsa05165; hsa05166; hsa05167; hsa05168; hsa05169; hsa05170; hsa05200; hsa05212; hsa05215; hsa05220; hsa05221; hsa05222; hsa05418 3BRT 17.7%
3 CLCNKA P51800 Chloride channel protein ClC-Ka NA 2PFI 15.1%
4 NFKB1 P19838 Nuclear factor NF-kappa-B p105 subunit hsa01523; hsa04010; hsa04014; hsa04024; hsa04062; hsa04064; hsa04066; hsa04071; hsa04151; hsa04210; hsa04211; hsa04218; hsa04380; hsa04620; hsa04621; hsa04622; hsa04623; hsa04625; hsa04657; hsa04658; hsa04659; hsa04660; hsa04662; hsa04668; hsa04722; hsa04917; hsa04920; hsa04926; hsa04931; hsa04932; hsa04933; hsa05030; hsa05120; hsa05131; hsa05132; hsa05133; hsa05134; hsa05140; hsa05142; hsa05145; hsa05146; hsa05152; hsa05160; hsa05161; hsa05162; hsa05163; hsa05164; hsa05165; hsa05166; hsa05167; hsa05168; hsa05169; hsa05170; hsa05200; hsa05202; hsa05203; hsa05206; hsa05212; hsa05215; hsa05220; hsa05221; hsa05222; hsa05321; hsa05418 1MDI; 1MDJ; 1MDK; 1NFI; 1SVC; 2DBF; 2O61; 3GUT 14.2%
5 PTGIS Q16647 Prostacyclin synthase hsa00590; hsa01100 2IAG; 3B6H 14.1%
6 FGFR2 P21802 Fibroblast growth factor receptor 2 hsa01521; hsa04010; hsa04014; hsa04015; hsa04144; hsa04151; hsa04550; hsa04810; hsa05200; hsa05215; hsa05226; hsa05230 13.6%
7 TYMS P04818 Thymidylate synthase hsa00240; hsa00670; hsa01100; hsa01523 13.1%
8 GSTP1 P09211 Glutathione S-transferase P hsa00480; hsa00980; hsa00982; hsa00983; hsa01524; hsa05200; hsa05204; hsa05215; hsa05225; hsa05418 13.1%
9 TBXAS1 P24557 Thromboxane-A synthase hsa00590; hsa01100; hsa04611 NA 12.9%
10 PDPK1 O15530 3-phosphoinositide-dependent protein kinase 1 hsa01524; hsa03320; hsa04068; hsa04071; hsa04140; hsa04150; hsa04151; hsa04152; hsa04210; hsa04510; hsa04660; hsa04664; hsa04722; hsa04910; hsa04919; hsa04931; hsa04960; hsa05145; hsa05160; hsa05205; hsa05213; hsa05215; hsa05223; hsa05231 12.2%
11 CXCR1 P25024 C-X-C chemokine receptor type 1 hsa04060; hsa04062; hsa04072; hsa04144; hsa05120 1ILP; 1ILQ; 2LNL 11.9%
12 CACNA2D3 Q8IZS8 Voltage-dependent calcium channel subunit alpha-2/delta-3 hsa04010; hsa04260; hsa04261; hsa04921; hsa05410; hsa05412; hsa05414 NA 11.8%
13 REN P00797 Renin hsa04614; hsa04924 11.4%
14 NR1I2 O75469 Nuclear receptor subfamily 1 group I member 2 NA 11.4%
15 PLA2G1B P04054 Phospholipase A2 hsa00564; hsa00565; hsa00590; hsa00591; hsa00592; hsa01100; hsa04014; hsa04270; hsa04972; hsa04975 1YSK; 3ELO 11.2%
16 AKR1C1 Q04828 Aldo-keto reductase family 1 member C1 hsa00140; hsa00980 1MRQ; 3C3U; 3GUG; 3NTY 11.2%
17 CDH5 P33151 Cadherin-5 hsa04514; hsa04670; hsa05418 NA 11.1%
18 ADA P00813 Adenosine deaminase hsa00230; hsa01100; hsa05340 1M7M; 3IAR 11.0%
19 METAP2 P50579 Methionine aminopeptidase 2 NA 1B59; 1B6A; 1BN5; 1BOA; 1KQ0; 1KQ9; 1QZY; 1R58; 1R5G; 1R5H; 1YW7; 1YW8; 1YW9; 2ADU; 2EA2; 2EA4; 2GA2; 2OAZ 11.0%
20 CRBN Q96SW2 Protein cereblon NA 4M91; 4TZ4 10.5%


  logl

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.

Contact:

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.