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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: DB07954
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB07954 3-isobutyl-1-methyl-7H-xanthine Thumb


8 known interactions (targets) of input drug (DB07954): 3-isobutyl-1-methyl-7H-xanthine
No. Gene UniProt ID Protein Name Pathway PDB
1 PDE2A O00408 cGMP-dependent 3',5'-cyclic phosphodiesterase hsa00230; hsa04022; hsa04740; hsa04925; hsa05032 1Z1L; 3IBJ; 3ITM; 3ITU; 4C1I; 4D08; 4D09; 4HTX; 4HTZ; 4JIB
2 PDE6G P18545 Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit gamma hsa00230; hsa04744 3JWR
3 PDE3B Q13370 cGMP-inhibited 3',5'-cyclic phosphodiesterase B hsa00230; hsa04022; hsa04024; hsa04371; hsa04910; hsa04914; hsa04922; hsa04923; hsa04924; hsa05032 1SO2; 1SOJ
4 PDE4D Q08499 cAMP-specific 3',5'-cyclic phosphodiesterase 4D hsa00230; hsa04024; hsa04928; hsa05032
5 PDE7A Q13946 High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A hsa00230; hsa05032 1ZKL; 3G3N; 4PM0; 4Y2B
6 PDE5A O76074 cGMP-specific 3',5'-cyclic phosphodiesterase hsa00230; hsa04022
7 PDE9A O76083 High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A hsa00230
8 PDE8A O60658 High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A hsa00230; hsa04927; hsa04934; hsa05032 1LHQ; 1LXX; 3ECM; 3ECN


20 predicted interactions (targets) of input drug (DB07954): 3-isobutyl-1-methyl-7H-xanthine
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 PDE4C Q08493 cAMP-specific 3',5'-cyclic phosphodiesterase 4C hsa00230; hsa04024; hsa04928; hsa05032 1LXU; 2QYM 48.8%
2 PDE4A P27815 cAMP-specific 3',5'-cyclic phosphodiesterase 4A hsa00230; hsa04024; hsa04928; hsa05032 2QYK; 3I8V; 3TVX 47.8%
3 PDE4B Q07343 cAMP-specific 3',5'-cyclic phosphodiesterase 4B hsa00230; hsa04024; hsa04928; hsa05032 46.8%
4 PDE7B Q9NP56 cAMP-specific 3',5'-cyclic phosphodiesterase 7B hsa00230; hsa05032 1LXW 46.1%
5 PDE10A Q9Y233 cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A hsa00230; hsa05032 44.6%
6 PDE1C Q14123 Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C hsa00230; hsa04020; hsa04740; hsa04742; hsa04924; hsa05032 1LXS 41.7%
7 PDE11A Q9HCR9 Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A hsa00230; hsa04934; hsa05032 NA 41.0%
8 PDE6C P51160 Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha' hsa00230 3JWQ; 3JWR; 5E8F 40.9%
9 PDE6A P16499 Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha hsa00230; hsa04744 NA 38.5%
10 PDE8B O95263 High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B hsa00230; hsa04927; hsa04934; hsa05032 NA 38.1%
11 PDE1B Q01064 Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B hsa00230; hsa04020; hsa04740; hsa04742; hsa04924; hsa05032 1LXR; 1TAZ; 4NPV; 4NPW 38.1%
12 PDE6B P35913 Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit beta hsa00230; hsa04744 NA 35.9%
13 PDE1A P54750 Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A hsa00230; hsa04020; hsa04740; hsa04742; hsa04924; hsa05032 1LXQ 33.0%
14 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 31.7%
15 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 31.5%
16 PRKDC P78527 DNA-dependent protein kinase catalytic subunit hsa03450; hsa04110 NA 29.0%
17 ATM Q13315 Serine-protein kinase ATM hsa01524; hsa03440; hsa04064; hsa04068; hsa04110; hsa04115; hsa04210; hsa04218; hsa05165; hsa05166; hsa05170; hsa05202; hsa05206 NA 28.4%
18 ITPR3 Q14573 Inositol 1,4,5-trisphosphate receptor type 3 hsa04020; hsa04022; hsa04070; hsa04114; hsa04210; hsa04218; hsa04270; hsa04371; hsa04540; hsa04611; hsa04621; hsa04625; hsa04713; hsa04720; hsa04723; hsa04724; hsa04725; hsa04726; hsa04728; hsa04730; hsa04742; hsa04750; hsa04911; hsa04912; hsa04915; hsa04918; hsa04921; hsa04922; hsa04924; hsa04925; hsa04927; hsa04928; hsa04934; hsa04970; hsa04971; hsa04972; hsa05010; hsa05163; hsa05167; hsa05170; hsa05205 NA 27.3%
19 PIK3CD O00329 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta 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; hsa05210; hsa05211; hsa05212; hsa05213; hsa05214; hsa05215; hsa05218; hsa05220; hsa05221; hsa05222; hsa05223; hsa05224; hsa05225; hsa05226; hsa05230; hsa05231; hsa05418 NA 25.9%
20 PDE6H Q13956 Retinal cone rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit gamma hsa00230 NA 25.9%


  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.