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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: DB06909
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB06909 1-ethyl-N-(phenylmethyl)-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide Thumb


No. Gene UniProt ID Protein Name Pathway PDB
1 PDE4B Q07343 cAMP-specific 3',5'-cyclic phosphodiesterase 4B hsa00230; hsa04024; hsa04928; hsa05032


No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 PDE4A P27815 cAMP-specific 3',5'-cyclic phosphodiesterase 4A hsa00230; hsa04024; hsa04928; hsa05032 2QYK; 3I8V; 3TVX 40.2%
2 PDE4D Q08499 cAMP-specific 3',5'-cyclic phosphodiesterase 4D hsa00230; hsa04024; hsa04928; hsa05032 38.1%
3 PDE4C Q08493 cAMP-specific 3',5'-cyclic phosphodiesterase 4C hsa00230; hsa04024; hsa04928; hsa05032 1LXU; 2QYM 26.8%
4 PTGS1 P23219 Prostaglandin G/H synthase 1 hsa00590; hsa01100; hsa04611; hsa04726; hsa04923 NA 24.2%
5 HINT1 P49773 Histidine triad nucleotide-binding protein 1 NA 1AV5; 1KPA; 1KPB; 1KPC; 1KPE; 1KPF; 3TW2; 4EQE; 4EQG; 4EQH 23.7%
6 PDE3A Q14432 cGMP-inhibited 3',5'-cyclic phosphodiesterase A hsa00230; hsa04022; hsa04024; hsa04924; hsa05032 1LRC 22.6%
7 PDE10A Q9Y233 cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A hsa00230; hsa05032 21.4%
8 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 19.4%
9 PLAT P00750 Tissue-type plasminogen activator hsa04371; hsa04610; hsa05202; hsa05215; hsa05418 1A5H; 1BDA; 1PK2; 1PML; 1RTF; 1TPG; 1TPK; 1TPM; 1TPN; 5BRR 18.3%
10 ADORA1 P30542 Adenosine receptor A1 hsa04022; hsa04024; hsa04071; hsa04080; hsa04923; hsa04924; hsa05032 NA 17.6%
11 NQO2 P16083 Ribosyldihydronicotinamide dehydrogenase [quinone] NA 17.0%
12 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 15.4%
13 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 14.8%
14 LTA4H P09960 Leukotriene A-4 hydrolase hsa00590; hsa01100 14.0%
15 PDE7A Q13946 High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A hsa00230; hsa05032 1ZKL; 3G3N; 4PM0; 4Y2B 13.7%
16 PIK3CG P48736 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform hsa00562; hsa04022; hsa04062; hsa04072; hsa04151; hsa04261; hsa04371; hsa04611; hsa04725; hsa04921; hsa05145; hsa05167 13.4%
17 BTK Q06187 Tyrosine-protein kinase BTK hsa04064; hsa04380; hsa04611; hsa04662; hsa04664; hsa05340 13.1%
18 PPAT Q06203 Amidophosphoribosyltransferase hsa00230; hsa00250; hsa01100 NA 12.6%
19 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 12.5%
20 NT5E P21589 5'-nucleotidase hsa00230; hsa00240; hsa00760; hsa01100 4H1S; 4H1Y; 4H2B; 4H2F; 4H2G; 4H2I 12.5%


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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.