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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: DB00926
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Withdrawn SmallMoleculeDrug DB00926 Etretinate Thumb


6 known interactions (targets) of input drug (DB00926): Etretinate
No. Gene UniProt ID Protein Name Pathway PDB
1 RXRB P28702 Retinoic acid receptor RXR-beta hsa03320; hsa04659; hsa04919; hsa04920; hsa04928; hsa05200; hsa05202; hsa05216; hsa05222; hsa05223; hsa05226 1H9U; 1UHL
2 RXRA P19793 Retinoic acid receptor RXR-alpha hsa03320; hsa04151; hsa04659; hsa04919; hsa04920; hsa04928; hsa04932; hsa04976; hsa05160; hsa05200; hsa05202; hsa05216; hsa05222; hsa05223; hsa05226
3 RARB P10826 Retinoic acid receptor beta hsa05200; hsa05222; hsa05223; hsa05226 1HRA; 1XAP; 4DM6; 4DM8; 4JYG; 4JYH; 4JYI
4 RARA P10276 Retinoic acid receptor alpha hsa04659; hsa04915; hsa05200; hsa05202; hsa05221 1DKF; 1DSZ; 3A9E; 3KMR; 3KMZ; 4DQM
5 RXRG P48443 Retinoic acid receptor RXR-gamma hsa03320; hsa04659; hsa04919; hsa04920; hsa04928; hsa05200; hsa05202; hsa05216; hsa05222; hsa05223; hsa05226 2GL8
6 RARG P13631 Retinoic acid receptor gamma NA 1EXA; 1EXX; 1FCX; 1FCY; 1FCZ; 1FD0; 2LBD; 3LBD; 4LBD


20 predicted interactions (targets) of input drug (DB00926): Etretinate
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 CYP26C1 Q6V0L0 Cytochrome P450 26C1 hsa00830; hsa01100 NA 39.6%
2 RBP1 P09455 Retinol-binding protein 1 NA NA 34.0%
3 PSG5 Q15238 Pregnancy-specific beta-1-glycoprotein 5 NA NA 31.3%
4 IGFBP3 P17936 Insulin-like growth factor-binding protein 3 hsa04115; hsa04218; hsa05202 NA 28.4%
5 MIF P14174 Macrophage migration inhibitory factor hsa00350; hsa00360 23.7%
6 JUN P05412 Transcription factor AP-1 hsa01522; hsa04010; hsa04012; hsa04024; hsa04137; hsa04210; hsa04310; hsa04380; hsa04510; hsa04530; hsa04620; hsa04621; hsa04625; hsa04657; hsa04658; hsa04659; hsa04660; hsa04662; hsa04668; hsa04722; hsa04912; hsa04915; hsa04921; hsa04926; hsa04932; hsa04933; hsa05030; hsa05031; hsa05120; hsa05132; hsa05133; hsa05140; hsa05142; hsa05161; hsa05164; hsa05166; hsa05167; hsa05168; hsa05169; hsa05170; hsa05200; hsa05203; hsa05210; hsa05211; hsa05224; hsa05231; hsa05321; hsa05323; hsa05418 1A02; 1FOS; 1JNM; 1JUN; 1S9K; 1T2K 22.0%
7 NCOA2 Q15596 Nuclear receptor coactivator 2 hsa04915; hsa04919 21.8%
8 ALDH1A1 P00352 Retinal dehydrogenase 1 hsa00830; hsa01100 4WB9; 4WJ9; 4WP7; 4WPN; 4X4L; 5AC2 21.3%
9 HPGDS O60760 Hematopoietic prostaglandin D synthase hsa00480; hsa00590; hsa00980; hsa00982; hsa01100; hsa05204 20.9%
10 GPRC5A Q8NFJ5 Retinoic acid-induced protein 3 NA NA 18.9%
11 ALDH1A2 O94788 Retinal dehydrogenase 2 hsa00830; hsa01100 NA 18.5%
12 CASP3 P42574 Caspase-3 hsa01524; hsa04010; hsa04115; hsa04210; hsa04215; hsa04650; hsa04657; hsa04668; hsa04726; hsa04932; hsa04933; hsa05010; hsa05012; hsa05014; hsa05016; hsa05120; hsa05133; hsa05134; hsa05145; hsa05146; hsa05152; hsa05161; hsa05163; hsa05165; hsa05167; hsa05168; hsa05170; hsa05200; hsa05203; hsa05205; hsa05206; hsa05210; hsa05222; hsa05416 17.7%
13 NR1H4 Q96RI1 Bile acid receptor hsa04976 17.0%
14 RARRES1 P49788 Retinoic acid receptor responder protein 1 NA NA 16.7%
15 INSR P06213 Insulin receptor hsa04010; hsa04014; hsa04015; hsa04022; hsa04066; hsa04068; hsa04072; hsa04150; hsa04151; hsa04152; hsa04211; hsa04213; hsa04520; hsa04910; hsa04913; hsa04923; hsa04930; hsa04931; hsa04932; hsa04960 16.6%
16 RBP4 P02753 Retinol-binding protein 4 NA 1BRP; 1BRQ; 1JYD; 1JYJ; 1QAB; 1RBP; 1RLB; 2WQ9; 2WQA; 2WR6; 3BSZ; 3FMZ; 4O9S; 4PSQ 16.5%
17 LCN1 P31025 Lipocalin-1 NA 1XKI; 3EYC; 4QAF 16.4%
18 PTK2 Q05397 Focal adhesion kinase 1 hsa01522; hsa04012; hsa04062; hsa04151; hsa04360; hsa04370; hsa04510; hsa04670; hsa04810; hsa05100; hsa05146; hsa05163; hsa05165; hsa05170; hsa05200; hsa05202; hsa05205; hsa05222; hsa05418 16.3%
19 CYP26B1 Q9NR63 Cytochrome P450 26B1 hsa00830; hsa01100 NA 16.1%
20 PDK4 Q16654 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial NA 2E0A; 2ZDX; 2ZDY; 2ZKJ; 3D2R 16.0%


  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.