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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: DB05252
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
1 Investigational SmallMoleculeDrug DB05252 Fenoxaprop-ethyl Thumb

1 known interactions (targets) of input drug (DB05252): Fenoxaprop-ethyl
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

20 predicted interactions (targets) of input drug (DB05252): Fenoxaprop-ethyl
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 29.9%
2 ADA P00813 Adenosine deaminase hsa00230; hsa01100; hsa05340 1M7M; 3IAR 14.6%
3 ADORA2A P29274 Adenosine receptor A2a hsa04015; hsa04020; hsa04024; hsa04080; hsa04270; hsa05012; hsa05034 1MMH; 1UPE; 2YDO; 2YDV; 3EML; 3PWH; 3QAK; 3REY; 3RFM; 3UZA; 3UZC; 3VG9; 3VGA; 4EIY; 4UG2; 4UHR 14.5%
4 KCNMB1 Q16558 Calcium-activated potassium channel subunit beta-1 hsa04022; hsa04270; hsa04911 NA 12.6%
5 MAP2K1 Q02750 Dual specificity mitogen-activated protein kinase kinase 1 hsa01521; hsa01522; hsa04010; hsa04012; hsa04014; hsa04015; hsa04022; hsa04024; hsa04062; hsa04066; hsa04068; hsa04071; hsa04072; hsa04114; hsa04140; hsa04150; hsa04151; hsa04210; hsa04218; hsa04270; hsa04370; hsa04371; hsa04380; hsa04510; hsa04540; hsa04550; hsa04620; hsa04650; hsa04660; hsa04662; hsa04664; hsa04666; hsa04668; hsa04720; hsa04722; hsa04725; hsa04726; hsa04730; hsa04810; hsa04910; hsa04912; hsa04914; hsa04915; hsa04916; hsa04917; hsa04919; hsa04921; hsa04926; hsa04928; hsa04934; hsa05020; hsa05034; hsa05161; hsa05163; hsa05164; hsa05165; hsa05167; hsa05170; hsa05200; hsa05205; hsa05206; hsa05210; hsa05211; hsa05212; hsa05213; hsa05214; hsa05215; hsa05216; hsa05218; hsa05219; hsa05220; hsa05221; hsa05223; hsa05224; hsa05225; hsa05226; hsa05230; hsa05231 11.8%
6 PRKACA P17612 cAMP-dependent protein kinase catalytic subunit alpha hsa01522; hsa04010; hsa04014; hsa04020; hsa04024; hsa04062; hsa04114; hsa04140; hsa04211; hsa04213; hsa04261; hsa04270; hsa04310; hsa04340; hsa04371; hsa04530; hsa04540; hsa04611; hsa04713; hsa04714; hsa04720; hsa04723; hsa04724; hsa04725; hsa04726; hsa04727; hsa04728; hsa04740; hsa04742; hsa04750; hsa04910; hsa04911; hsa04912; hsa04913; hsa04914; hsa04915; hsa04916; hsa04918; hsa04919; hsa04921; hsa04922; hsa04923; hsa04924; hsa04925; hsa04926; hsa04927; hsa04928; hsa04934; hsa04961; hsa04962; hsa04970; hsa04971; hsa04976; hsa05012; hsa05020; hsa05030; hsa05031; hsa05032; hsa05034; hsa05110; hsa05146; hsa05163; hsa05165; hsa05166; hsa05169; hsa05200; hsa05203; hsa05205; hsa05414 11.8%
7 TYMS P04818 Thymidylate synthase hsa00240; hsa00670; hsa01100; hsa01523 11.7%
8 SLC7A1 P30825 High affinity cationic amino acid transporter 1 hsa05206 NA 11.5%
9 PIK3CA P42336 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform hsa00562; hsa01521; hsa01522; hsa01524; hsa04012; hsa04014; hsa04015; hsa04024; hsa04062; hsa04066; hsa04068; hsa04070; hsa04071; hsa04072; hsa04140; hsa04150; hsa04151; hsa04152; hsa04210; hsa04211; hsa04213; hsa04218; hsa04360; hsa04370; hsa04380; hsa04510; hsa04550; hsa04611; hsa04620; hsa04625; hsa04630; hsa04650; hsa04660; hsa04662; hsa04664; hsa04666; hsa04668; hsa04670; hsa04722; hsa04725; hsa04750; hsa04810; hsa04910; hsa04914; hsa04915; hsa04917; hsa04919; hsa04923; hsa04926; hsa04930; hsa04931; hsa04932; hsa04933; hsa04960; hsa04973; hsa05100; hsa05142; hsa05146; hsa05160; hsa05161; hsa05162; hsa05163; hsa05164; hsa05165; hsa05166; hsa05167; hsa05169; hsa05170; hsa05200; hsa05203; hsa05205; hsa05206; hsa05210; hsa05211; hsa05212; hsa05213; hsa05214; hsa05215; hsa05218; hsa05220; hsa05221; hsa05222; hsa05223; hsa05224; hsa05225; hsa05226; hsa05230; hsa05231; hsa05418 2ENQ; 2RD0; 3HHM; 3HIZ; 3ZIM; 4JPS; 4L1B; 4L23; 4L2Y; 4OVU; 4OVV; 4TUU; 4TV3; 4WAF; 4YKN 11.4%
10 ALOX5 P09917 Arachidonate 5-lipoxygenase hsa00590; hsa01100; hsa04664; hsa04726; hsa04913; hsa05145 2ABV; 3O8Y; 3V92; 3V98; 3V99 11.3%
11 ASS1 P00966 Argininosuccinate synthase hsa00220; hsa00250; hsa01100; hsa01230; hsa05418 2NZ2 11.1%
12 KCNN3 Q9UGI6 Small conductance calcium-activated potassium channel protein 3 hsa04911 NA 11.0%
13 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 11.0%
14 PDE1B Q01064 Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B hsa00230; hsa04020; hsa04740; hsa04742; hsa04924; hsa05032 1LXR; 1TAZ; 4NPV; 4NPW 10.6%
15 PCBD1 P61457 Pterin-4-alpha-carbinolamine dehydratase hsa00790; hsa01100 NA 10.6%
16 IL2 P60568 Interleukin-2 hsa04060; hsa04151; hsa04625; hsa04630; hsa04658; hsa04659; hsa04660; hsa04672; hsa04940; hsa05142; hsa05162; hsa05166; hsa05200; hsa05320; hsa05321; hsa05330; hsa05332 10.4%
17 GLP1R P43220 Glucagon-like peptide 1 receptor hsa04024; hsa04080; hsa04911 3C59; 3C5T; 3IOL; 4ZGM 10.4%
18 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 10.3%
19 PTK2 Q05397 Focal adhesion kinase 1 hsa01522; hsa04012; hsa04062; hsa04151; hsa04360; hsa04370; hsa04510; hsa04670; hsa04810; hsa05100; hsa05146; hsa05163; hsa05165; hsa05170; hsa05200; hsa05202; hsa05205; hsa05222; hsa05418 10.2%
20 AZIN2 Q96A70 Antizyme inhibitor 2 hsa00330; hsa01100 NA 10.2%


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.