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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: DB05869
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Investigational SmallMoleculeDrug DB05869 Ethyl pyruvate Thumb


2 known interactions (targets) of input drug (DB05869): Ethyl pyruvate
No. Gene UniProt ID Protein Name Pathway PDB
1 HMGB1 P09429 High mobility group protein B1 hsa03410; hsa04140; hsa04217 2LY4; 2RTU; 2YRQ
2 TNF P01375 Tumor necrosis factor hsa01523; hsa04010; hsa04060; hsa04064; hsa04071; hsa04150; hsa04210; hsa04217; hsa04350; hsa04380; hsa04612; hsa04620; hsa04621; hsa04622; hsa04625; hsa04640; hsa04650; hsa04657; hsa04660; hsa04664; hsa04668; hsa04920; hsa04930; hsa04931; hsa04932; hsa04933; hsa04940; hsa05010; hsa05014; hsa05133; hsa05134; hsa05140; hsa05142; hsa05143; hsa05144; hsa05145; hsa05146; hsa05152; hsa05160; hsa05161; hsa05163; hsa05164; hsa05165; hsa05166; hsa05168; hsa05170; hsa05205; hsa05310; hsa05321; hsa05322; hsa05323; hsa05330; hsa05332; hsa05410; hsa05414; hsa05418 1A8M; 1TNF; 2AZ5; 2E7A; 2TUN; 2ZJC; 2ZPX; 3ALQ; 3IT8; 3L9J; 3WD5; 4G3Y; 4TSV; 4TWT; 5TSW


20 predicted interactions (targets) of input drug (DB05869): Ethyl pyruvate
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 IL6 P05231 Interleukin-6 hsa01521; hsa01523; hsa04060; hsa04066; hsa04068; hsa04151; hsa04218; hsa04620; hsa04621; hsa04623; hsa04625; hsa04630; hsa04640; hsa04657; hsa04659; hsa04668; hsa04672; hsa04931; hsa04932; hsa04933; hsa05020; hsa05132; hsa05133; hsa05134; hsa05142; hsa05143; hsa05144; hsa05146; hsa05152; hsa05161; hsa05162; hsa05163; hsa05164; hsa05166; hsa05167; hsa05168; hsa05200; hsa05202; hsa05321; hsa05323; hsa05332; hsa05410 1ALU; 1IL6; 1N2Q; 1P9M; 2IL6; 4CNI; 4J4L; 4NI7; 4NI9; 4O9H 34.3%
2 IL1B P01584 Interleukin-1 beta hsa01523; hsa04010; hsa04060; hsa04064; hsa04217; hsa04380; hsa04620; hsa04621; hsa04623; hsa04625; hsa04640; hsa04657; hsa04659; hsa04668; hsa04750; hsa04932; hsa04933; hsa04940; hsa05010; hsa05020; hsa05132; hsa05133; hsa05134; hsa05140; hsa05142; hsa05143; hsa05144; hsa05146; hsa05152; hsa05162; hsa05163; hsa05164; hsa05168; hsa05321; hsa05323; hsa05332; hsa05418 29.8%
3 IFNG P01579 Interferon gamma hsa03050; hsa04060; hsa04066; hsa04217; hsa04350; hsa04380; hsa04612; hsa04630; hsa04650; hsa04657; hsa04658; hsa04659; hsa04660; hsa04940; hsa05132; hsa05140; hsa05142; hsa05143; hsa05144; hsa05145; hsa05146; hsa05152; hsa05162; hsa05164; hsa05168; hsa05169; hsa05200; hsa05321; hsa05322; hsa05323; hsa05330; hsa05332; hsa05418 1EKU; 1FG9; 1FYH; 1HIG; 3BES 28.1%
4 NFKB2 Q00653 Nuclear factor NF-kappa-B p100 subunit hsa04010; hsa04064; hsa04380; hsa04625; hsa05134; hsa05166; hsa05169; hsa05200; hsa05203; hsa05224 1A3Q; 2D96; 3DO7; 4OT9 25.6%
5 CTSB P07858 Cathepsin B hsa04140; hsa04142; hsa04210; hsa04612; hsa04621; hsa04924 1CSB; 1GMY; 1HUC; 1PBH; 2IPP; 2PBH; 3AI8; 3CBJ; 3CBK; 3K9M; 3PBH 23.5%
6 EPHB4 P54760 Ephrin type-B receptor 4 hsa04360 2BBA; 2E7H; 2HLE; 2QKQ; 2VWU; 2VWV; 2VWW; 2VWX; 2VWY; 2VWZ; 2VX0; 2VX1; 2X9F; 2XVD; 2YN8; 3ZEW; 4AW5; 4BB4 22.7%
7 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 19.8%
8 FGA P02671 Fibrinogen alpha chain hsa04610; hsa04611 18.8%
9 EGFR P00533 Epidermal growth factor receptor hsa01521; hsa01522; hsa04010; hsa04012; hsa04014; hsa04015; hsa04020; hsa04066; hsa04068; hsa04072; hsa04144; hsa04151; hsa04510; hsa04520; hsa04540; hsa04630; hsa04810; hsa04912; hsa04915; hsa04921; hsa04926; hsa04928; hsa04934; hsa05120; hsa05160; hsa05163; hsa05165; hsa05200; hsa05205; hsa05206; hsa05210; hsa05212; hsa05213; hsa05214; hsa05215; hsa05218; hsa05219; hsa05223; hsa05224; hsa05225; hsa05226; hsa05230; hsa05231 18.0%
10 PTGS1 P23219 Prostaglandin G/H synthase 1 hsa00590; hsa01100; hsa04611; hsa04726; hsa04923 NA 17.3%
11 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 17.2%
12 F13B P05160 Coagulation factor XIII B chain hsa04610 NA 17.1%
13 SOD1 P00441 Superoxide dismutase [Cu-Zn] hsa04146; hsa04213; hsa05014; hsa05016; hsa05020 16.9%
14 TGFBR2 P37173 TGF-beta receptor type-2 hsa04010; hsa04060; hsa04068; hsa04144; hsa04218; hsa04350; hsa04380; hsa04390; hsa04520; hsa04659; hsa04926; hsa04933; hsa05142; hsa05166; hsa05200; hsa05202; hsa05210; hsa05212; hsa05220; hsa05225; hsa05226 1KTZ; 1M9Z; 1PLO; 2PJY; 3KFD; 4P7U; 4XJJ 16.5%
15 PDE4D Q08499 cAMP-specific 3',5'-cyclic phosphodiesterase 4D hsa00230; hsa04024; hsa04928; hsa05032 16.0%
16 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 15.5%
17 CASR P41180 Extracellular calcium-sensing receptor hsa04621; hsa04928 NA 15.1%
18 MT-CO2 P00403 Cytochrome c oxidase subunit 2 hsa00190; hsa01100; hsa04260; hsa04714; hsa04932; hsa05010; hsa05012; hsa05016 3VRJ 14.9%
19 REN P00797 Renin hsa04614; hsa04924 14.6%
20 PDE4B Q07343 cAMP-specific 3',5'-cyclic phosphodiesterase 4B hsa00230; hsa04024; hsa04928; hsa05032 14.4%


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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.