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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: DB07051
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB07051 3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER Thumb


1 known interactions (targets) of input drug (DB07051): 3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
No. Gene UniProt ID Protein Name Pathway PDB
1 PDE4D Q08499 cAMP-specific 3',5'-cyclic phosphodiesterase 4D hsa00230; hsa04024; hsa04928; hsa05032


20 predicted interactions (targets) of input drug (DB07051): 3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 PDE4B Q07343 cAMP-specific 3',5'-cyclic phosphodiesterase 4B hsa00230; hsa04024; hsa04928; hsa05032 39.9%
2 PDE4C Q08493 cAMP-specific 3',5'-cyclic phosphodiesterase 4C hsa00230; hsa04024; hsa04928; hsa05032 1LXU; 2QYM 32.7%
3 PDE4A P27815 cAMP-specific 3',5'-cyclic phosphodiesterase 4A hsa00230; hsa04024; hsa04928; hsa05032 2QYK; 3I8V; 3TVX 28.7%
4 PDE2A O00408 cGMP-dependent 3',5'-cyclic phosphodiesterase hsa00230; hsa04022; hsa04740; hsa04925; hsa05032 1Z1L; 3IBJ; 3ITM; 3ITU; 4C1I; 4D08; 4D09; 4HTX; 4HTZ; 4JIB 17.3%
5 NR1I2 O75469 Nuclear receptor subfamily 1 group I member 2 NA 16.9%
6 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 16.3%
7 PDE7A Q13946 High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A hsa00230; hsa05032 1ZKL; 3G3N; 4PM0; 4Y2B 16.2%
8 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 13.9%
9 NFKB2 Q00653 Nuclear factor NF-kappa-B p100 subunit hsa04010; hsa04064; hsa04380; hsa04625; hsa05134; hsa05166; hsa05169; hsa05200; hsa05203; hsa05224 1A3Q; 2D96; 3DO7; 4OT9 13.6%
10 ADRA1B P35368 Alpha-1B adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04261; hsa04270; hsa04970 NA 13.2%
11 PDE7B Q9NP56 cAMP-specific 3',5'-cyclic phosphodiesterase 7B hsa00230; hsa05032 1LXW 12.9%
12 PDE9A O76083 High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A hsa00230 12.3%
13 KIF11 P52732 Kinesin-like protein KIF11 NA 12.1%
14 GLP1R P43220 Glucagon-like peptide 1 receptor hsa04024; hsa04080; hsa04911 3C59; 3C5T; 3IOL; 4ZGM 11.7%
15 ATP4A P20648 Potassium-transporting ATPase alpha chain 1 hsa00190; hsa04966; hsa04971 NA 11.6%
16 PDE1C Q14123 Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C hsa00230; hsa04020; hsa04740; hsa04742; hsa04924; hsa05032 1LXS 11.4%
17 HRH2 P25021 Histamine H2 receptor hsa04020; hsa04080; hsa04971 NA 11.3%
18 PDE3B Q13370 cGMP-inhibited 3',5'-cyclic phosphodiesterase B hsa00230; hsa04022; hsa04024; hsa04371; hsa04910; hsa04914; hsa04922; hsa04923; hsa04924; hsa05032 1SO2; 1SOJ 11.2%
19 RAF1 P04049 RAF proto-oncogene serine/threonine-protein kinase hsa01521; hsa01522; hsa04010; hsa04012; hsa04014; hsa04015; hsa04022; hsa04024; hsa04062; hsa04068; hsa04071; hsa04072; hsa04140; hsa04150; hsa04151; hsa04210; hsa04218; hsa04270; hsa04360; hsa04370; hsa04371; hsa04510; hsa04540; hsa04550; hsa04625; hsa04630; hsa04650; hsa04660; hsa04662; hsa04664; hsa04666; hsa04720; hsa04722; hsa04726; hsa04730; hsa04810; hsa04910; hsa04912; hsa04914; hsa04915; hsa04916; hsa04917; hsa04919; hsa04921; hsa04926; hsa04928; hsa05034; hsa05152; hsa05160; hsa05161; hsa05163; hsa05164; hsa05165; hsa05167; hsa05170; hsa05200; hsa05205; hsa05206; hsa05210; hsa05211; hsa05212; hsa05213; hsa05214; hsa05215; hsa05218; hsa05219; hsa05220; hsa05221; hsa05223; hsa05224; hsa05225; hsa05226; hsa05230; hsa05231 1C1Y; 1FAQ; 1FAR; 1GUA; 1RFA; 3CU8; 3IQJ; 3IQU; 3IQV; 3KUC; 3KUD; 3NKX; 3O8I; 3OMV; 4FJ3; 4G0N; 4G3X; 4IEA; 4IHL 11.1%
20 ADORA1 P30542 Adenosine receptor A1 hsa04022; hsa04024; hsa04071; hsa04080; hsa04923; hsa04924; hsa05032 NA 10.9%


  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.