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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: DB00651
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved SmallMoleculeDrug DB00651 Dyphylline Thumb


8 known interactions (targets) of input drug (DB00651): Dyphylline
No. Gene UniProt ID Protein Name Pathway PDB
1 ADORA1 P30542 Adenosine receptor A1 hsa04022; hsa04024; hsa04071; hsa04080; hsa04923; hsa04924; hsa05032 NA
2 PDE4D Q08499 cAMP-specific 3',5'-cyclic phosphodiesterase 4D hsa00230; hsa04024; hsa04928; hsa05032
3 PDE7A Q13946 High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A hsa00230; hsa05032 1ZKL; 3G3N; 4PM0; 4Y2B
4 PDE7B Q9NP56 cAMP-specific 3',5'-cyclic phosphodiesterase 7B hsa00230; hsa05032 1LXW
5 PDE4B Q07343 cAMP-specific 3',5'-cyclic phosphodiesterase 4B hsa00230; hsa04024; hsa04928; hsa05032
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
7 PDE4C Q08493 cAMP-specific 3',5'-cyclic phosphodiesterase 4C hsa00230; hsa04024; hsa04928; hsa05032 1LXU; 2QYM
8 PDE4A P27815 cAMP-specific 3',5'-cyclic phosphodiesterase 4A hsa00230; hsa04024; hsa04928; hsa05032 2QYK; 3I8V; 3TVX


20 predicted interactions (targets) of input drug (DB00651): Dyphylline
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 PDE3A Q14432 cGMP-inhibited 3',5'-cyclic phosphodiesterase A hsa00230; hsa04022; hsa04024; hsa04924; hsa05032 1LRC 49.7%
2 PDE5A O76074 cGMP-specific 3',5'-cyclic phosphodiesterase hsa00230; hsa04022 44.0%
3 PDE2A O00408 cGMP-dependent 3',5'-cyclic phosphodiesterase hsa00230; hsa04022; hsa04740; hsa04925; hsa05032 1Z1L; 3IBJ; 3ITM; 3ITU; 4C1I; 4D08; 4D09; 4HTX; 4HTZ; 4JIB 41.9%
4 PDE6C P51160 Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha' hsa00230 3JWQ; 3JWR; 5E8F 40.9%
5 PDE1C Q14123 Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C hsa00230; hsa04020; hsa04740; hsa04742; hsa04924; hsa05032 1LXS 39.3%
6 PDE6A P16499 Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha hsa00230; hsa04744 NA 38.8%
7 PDE8A O60658 High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A hsa00230; hsa04927; hsa04934; hsa05032 1LHQ; 1LXX; 3ECM; 3ECN 38.7%
8 PDE11A Q9HCR9 Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A hsa00230; hsa04934; hsa05032 NA 37.9%
9 PDE6B P35913 Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit beta hsa00230; hsa04744 NA 37.8%
10 PDE3B Q13370 cGMP-inhibited 3',5'-cyclic phosphodiesterase B hsa00230; hsa04022; hsa04024; hsa04371; hsa04910; hsa04914; hsa04922; hsa04923; hsa04924; hsa05032 1SO2; 1SOJ 37.0%
11 PDE1B Q01064 Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B hsa00230; hsa04020; hsa04740; hsa04742; hsa04924; hsa05032 1LXR; 1TAZ; 4NPV; 4NPW 35.4%
12 PDE1A P54750 Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A hsa00230; hsa04020; hsa04740; hsa04742; hsa04924; hsa05032 1LXQ 34.3%
13 PDE8B O95263 High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B hsa00230; hsa04927; hsa04934; hsa05032 NA 33.8%
14 PDE9A O76083 High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A hsa00230 32.8%
15 ADORA2B P29275 Adenosine receptor A2b hsa04015; hsa04020; hsa04080; hsa04270; hsa05034 NA 32.5%
16 PDE10A Q9Y233 cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A hsa00230; hsa05032 30.6%
17 ATM Q13315 Serine-protein kinase ATM hsa01524; hsa03440; hsa04064; hsa04068; hsa04110; hsa04115; hsa04210; hsa04218; hsa05165; hsa05166; hsa05170; hsa05202; hsa05206 NA 30.4%
18 ITPR2 Q14571 Inositol 1,4,5-trisphosphate receptor type 2 hsa04020; hsa04022; hsa04070; hsa04114; hsa04210; hsa04218; hsa04270; hsa04371; hsa04540; hsa04611; hsa04621; hsa04625; hsa04720; hsa04723; hsa04724; hsa04725; hsa04726; hsa04728; hsa04730; hsa04750; hsa04912; hsa04915; hsa04918; hsa04921; hsa04922; hsa04924; hsa04925; hsa04927; hsa04928; hsa04934; hsa04970; hsa04971; hsa04972; hsa05010; hsa05163; hsa05167; hsa05170; hsa05205 NA 29.7%
19 PRKDC P78527 DNA-dependent protein kinase catalytic subunit hsa03450; hsa04110 NA 29.1%
20 ITPR1 Q14643 Inositol 1,4,5-trisphosphate receptor type 1 hsa04020; hsa04022; hsa04070; hsa04114; hsa04140; hsa04210; hsa04218; hsa04270; hsa04371; hsa04540; hsa04611; hsa04621; hsa04625; hsa04713; hsa04720; hsa04723; hsa04724; hsa04725; hsa04726; hsa04728; hsa04730; hsa04750; hsa04912; hsa04915; hsa04918; hsa04921; hsa04922; hsa04924; hsa04925; hsa04927; hsa04928; hsa04934; hsa04970; hsa04971; hsa04972; hsa05010; hsa05016; hsa05163; hsa05167; hsa05170; hsa05205 NA 28.6%


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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.