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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: DB01436
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Nutraceutical		 SmallMoleculeDrug DB01436 Alfacalcidol Thumb


3 known interactions (targets) of input drug (DB01436): Alfacalcidol
No. Gene UniProt ID Protein Name Pathway PDB
1 RXRA P19793 Retinoic acid receptor RXR-alpha hsa03320; hsa04151; hsa04659; hsa04919; hsa04920; hsa04928; hsa04932; hsa04976; hsa05160; hsa05200; hsa05202; hsa05216; hsa05222; hsa05223; hsa05226
2 VDR P11473 Vitamin D3 receptor hsa04928; hsa04961; hsa04978; hsa05152
3 CYP27B1 O15528 25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial hsa00100; hsa01100; hsa04928; hsa05152 NA


20 predicted interactions (targets) of input drug (DB01436): Alfacalcidol
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 RXRG P48443 Retinoic acid receptor RXR-gamma hsa03320; hsa04659; hsa04919; hsa04920; hsa04928; hsa05200; hsa05202; hsa05216; hsa05222; hsa05223; hsa05226 2GL8 27.1%
2 NR3C1 P04150 Glucocorticoid receptor hsa04080 1M2Z; 1NHZ; 1P93; 3BQD; 3CLD; 3E7C; 3H52; 3K22; 3K23; 4CSJ; 4HN5; 4HN6; 4LSJ; 4MDD; 4P6W; 4P6X 22.5%
3 SCN5A Q14524 Sodium channel protein type 5 subunit alpha hsa04261 2KBI; 2L53; 4DCK; 4DJC; 4JQ0; 4OVN 22.0%
4 PGR P06401 Progesterone receptor hsa04114; hsa04914; hsa04915; hsa05224 1A28; 1E3K; 1SQN; 1SR7; 1ZUC; 2C7A; 2OVH; 2OVM; 2W8Y; 3D90; 3G8O; 3HQ5; 3KBA; 3ZR7; 3ZRA; 3ZRB; 4A2J; 4APU; 4OAR 21.3%
5 RARB P10826 Retinoic acid receptor beta hsa05200; hsa05222; hsa05223; hsa05226 1HRA; 1XAP; 4DM6; 4DM8; 4JYG; 4JYH; 4JYI 21.1%
6 SRC P12931 Proto-oncogene tyrosine-protein kinase Src hsa01521; hsa01522; hsa04012; hsa04015; hsa04062; hsa04137; hsa04144; hsa04360; hsa04370; hsa04510; hsa04520; hsa04530; hsa04540; hsa04611; hsa04625; hsa04727; hsa04750; hsa04810; hsa04912; hsa04915; hsa04917; hsa04919; hsa04921; hsa04926; hsa05100; hsa05120; hsa05131; hsa05152; hsa05161; hsa05163; hsa05167; hsa05203; hsa05205; hsa05219; hsa05418 20.9%
7 IGFBP3 P17936 Insulin-like growth factor-binding protein 3 hsa04115; hsa04218; hsa05202 NA 20.8%
8 RARA P10276 Retinoic acid receptor alpha hsa04659; hsa04915; hsa05200; hsa05202; hsa05221 1DKF; 1DSZ; 3A9E; 3KMR; 3KMZ; 4DQM 19.6%
9 CYP26C1 Q6V0L0 Cytochrome P450 26C1 hsa00830; hsa01100 NA 19.0%
10 NCOA2 Q15596 Nuclear receptor coactivator 2 hsa04915; hsa04919 18.2%
11 IL5 P05113 Interleukin-5 hsa04060; hsa04630; hsa04640; hsa04657; hsa04658; hsa04660; hsa04664; hsa04672; hsa05200; hsa05310; hsa05320; hsa05321; hsa05330 1HUL; 3QT2; 3VA2 17.8%
12 NCOA1 Q15788 Nuclear receptor coactivator 1 hsa04915; hsa04919; hsa05200; hsa05224 17.1%
13 ENPP1 P22413 Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 hsa00230; hsa00240; hsa00500; hsa00740; hsa00760; hsa00770; hsa01100 2YS0 17.0%
14 CPB1 P15086 Carboxypeptidase B hsa04972; hsa04974 1KWM; 1ZLI 16.3%
15 LTA4H P09960 Leukotriene A-4 hydrolase hsa00590; hsa01100 16.3%
16 PTGDR2 Q9Y5Y4 Prostaglandin D2 receptor 2 NA NA 15.7%
17 IGHG1 P01857 Ig gamma-1 chain C region NA
1AJ7; 1AQK; 1BEY; 1D5B; 1D5I; 1D6V; 1DFB; 1DN2; 1E4K; 1FC1; 1FC2; 1FCC; 1GAF; 1H3T; 1H3U; 1H3V; 1H3W; 1H3X; 1H3Y; 1HKL; 1HZH; 1I7Z; 1L6X; 1N7M; 1OP3; 1OQO; 1OQX; 1T83; 1T89; 1VGE; 2DTS; 2GJ7; 2I5Y; 2IWG; 2J6E; 2JB5; 2JB6; 2O5X; 2O5Y; 2O5Z; 2OSL; 2QAD; 2QL1; 2QQK; 2QQL; 2QQN; 2QR0; 2R56; 2RCJ; 2RCS; 2VXQ; 2WAH; 3AGV; 3AVE; 3AY4; 3B2U; 3B2V; 3BDY; 3BE1; 3BKY; 3BN9; 3BQU; 3C08; 3C09; 3C2S; 3CFJ; 3CFK; 3CSY; 3D0L; 3D0V; 3D6G; 3D85; 3DJ9; 3DNK; 3DO3; 3DRO; 3DRQ; 3DVG; 3DVN; 3EYF; 3EYO; 3EYQ; 3FJT; 3O11; 3RY6; 3S7G; 3SGJ; 3SGK; 3TV3; 3TWC; 3TYG; 3U0W; 3U7W; 3U7Y; 3V7M; 3V8C; 3V95; 3WJJ; 3WJL; 3WKN; 3WN5; 4ACP; 4B7I; 4BM7; 4BSV; 4BSW; 4BYH; 4CDH; 4D9Q; 4D9R; 4DAG; 4DZ8; 4EOW; 4J12; 4KU1; 4LLD; 4LLM; 4LLQ; 4N0U; 4NQS; 4NQT; 4NQU; 4NWT; 4NWU; 4O4Y; 4O51; 4Q6Y; 4Q74; 4Q7D; 4W4N; 4W4O; 4WI2; 4WI3; 4WI4; 4WI5; 4WI6; 4WI7; 4WI8; 4WI9; 4X4M; 4X98; 4X99; 4ZNE; 5BW7
 15.6%
18 DNTT P04053 DNA nucleotidylexotransferase hsa03450; hsa04640 2COE 14.9%
19 ISYNA1 Q9NPH2 Inositol-3-phosphate synthase 1 hsa00562; hsa01100 NA 14.7%
20 NR1H4 Q96RI1 Bile acid receptor hsa04976 14.6%


  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.