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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: DB00459
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
1 Approved SmallMoleculeDrug DB00459 Acitretin Thumb

7 known interactions (targets) of input drug (DB00459): Acitretin
No. Gene UniProt ID Protein Name Pathway PDB
1 RBP1 P09455 Retinol-binding protein 1 NA NA
2 RXRB P28702 Retinoic acid receptor RXR-beta hsa03320; hsa04659; hsa04919; hsa04920; hsa04928; hsa05200; hsa05202; hsa05216; hsa05222; hsa05223; hsa05226 1H9U; 1UHL
3 RXRA P19793 Retinoic acid receptor RXR-alpha hsa03320; hsa04151; hsa04659; hsa04919; hsa04920; hsa04928; hsa04932; hsa04976; hsa05160; hsa05200; hsa05202; hsa05216; hsa05222; hsa05223; hsa05226
4 RARB P10826 Retinoic acid receptor beta hsa05200; hsa05222; hsa05223; hsa05226 1HRA; 1XAP; 4DM6; 4DM8; 4JYG; 4JYH; 4JYI
5 RARA P10276 Retinoic acid receptor alpha hsa04659; hsa04915; hsa05200; hsa05202; hsa05221 1DKF; 1DSZ; 3A9E; 3KMR; 3KMZ; 4DQM
6 RXRG P48443 Retinoic acid receptor RXR-gamma hsa03320; hsa04659; hsa04919; hsa04920; hsa04928; hsa05200; hsa05202; hsa05216; hsa05222; hsa05223; hsa05226 2GL8
7 RARG P13631 Retinoic acid receptor gamma NA 1EXA; 1EXX; 1FCX; 1FCY; 1FCZ; 1FD0; 2LBD; 3LBD; 4LBD

20 predicted interactions (targets) of input drug (DB00459): Acitretin
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 CYP26C1 Q6V0L0 Cytochrome P450 26C1 hsa00830; hsa01100 NA 39.7%
2 PSG5 Q15238 Pregnancy-specific beta-1-glycoprotein 5 NA NA 29.5%
3 IGFBP3 P17936 Insulin-like growth factor-binding protein 3 hsa04115; hsa04218; hsa05202 NA 27.9%
4 HPGDS O60760 Hematopoietic prostaglandin D synthase hsa00480; hsa00590; hsa00980; hsa00982; hsa01100; hsa05204 27.1%
5 ALDH1A1 P00352 Retinal dehydrogenase 1 hsa00830; hsa01100 4WB9; 4WJ9; 4WP7; 4WPN; 4X4L; 5AC2 25.9%
6 HMGCR P04035 3-hydroxy-3-methylglutaryl-coenzyme A reductase hsa00900; hsa01100; hsa04152; hsa04976 24.7%
7 ALDH1A2 O94788 Retinal dehydrogenase 2 hsa00830; hsa01100 NA 24.4%
8 PPP1CC P36873 Serine/threonine-protein phosphatase PP1-gamma catalytic subunit hsa03015; hsa04022; hsa04024; hsa04114; hsa04218; hsa04261; hsa04270; hsa04390; hsa04510; hsa04611; hsa04720; hsa04728; hsa04750; hsa04810; hsa04910; hsa04921; hsa04931; hsa05031; hsa05034; hsa05168; hsa05205 1IT6; 1JK7; 1U32; 2BCD; 2BDX; 4UT2; 4UT3 23.4%
9 GLTP Q9NZD2 Glycolipid transfer protein NA 21.7%
10 CHEK1 O14757 Serine/threonine-protein kinase Chk1 hsa04110; hsa04115; hsa04218; hsa05166; hsa05170; hsa05203 21.1%
11 MIF P14174 Macrophage migration inhibitory factor hsa00350; hsa00360 20.3%
12 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 20.1%
13 C8G P07360 Complement component C8 gamma chain hsa04610; hsa05020; hsa05146; hsa05322 1IW2; 1LF7; 2OVA; 2OVD; 2OVE; 2QOS; 2RD7; 3OJY 18.8%
14 NCOA2 Q15596 Nuclear receptor coactivator 2 hsa04915; hsa04919 18.4%
15 SREBF1 P36956 Sterol regulatory element-binding protein 1 hsa04152; hsa04910; hsa04931; hsa04932 1AM9 18.3%
16 PLA2G2E Q9NZK7 Group IIE secretory phospholipase A2 hsa00564; hsa00565; hsa00590; hsa00591; hsa00592; hsa01100; hsa04014; hsa04270; hsa04972; hsa04975 NA 17.9%
17 PPARA Q07869 Peroxisome proliferator-activated receptor alpha hsa03320; hsa04024; hsa04920; hsa04922; hsa04931; hsa04932; hsa05160 1I7G; 1K7L; 1KKQ; 2NPA; 2P54; 2REW; 2ZNN; 3ET1; 3FEI; 3G8I; 3KDT; 3KDU; 3SP6; 3VI8; 4BCR; 4CI4 17.8%
18 HBA1 P69905 Hemoglobin subunit alpha NA
1A00; 1A01; 1A0U; 1A0Z; 1A3N; 1A3O; 1A9W; 1ABW; 1ABY; 1AJ9; 1B86; 1BAB; 1BBB; 1BIJ; 1BUW; 1BZ0; 1BZ1; 1BZZ; 1C7B; 1C7C; 1C7D; 1CLS; 1CMY; 1COH; 1DKE; 1DXT; 1DXU; 1DXV; 1FDH; 1FN3; 1G9V; 1GBU; 1GBV; 1GLI; 1GZX; 1HAB; 1HAC; 1HBA; 1HBB; 1HBS; 1HCO; 1HDB; 1HGA; 1HGB; 1HGC; 1HHO; 1IRD; 1J3Y; 1J3Z; 1J40; 1J41; 1J7S; 1J7W; 1J7Y; 1JY7; 1K0Y; 1K1K; 1KD2; 1LFL; 1LFQ; 1LFT; 1LFV; 1LFY; 1LFZ; 1LJW; 1M9P; 1MKO; 1NEJ; 1NIH; 1NQP; 1O1I; 1O1J; 1O1K; 1O1L; 1O1M; 1O1N; 1O1O; 1O1P; 1QI8; 1QSH; 1QSI; 1QXD; 1QXE; 1R1X; 1R1Y; 1RPS; 1RQ3; 1RQ4; 1RQA; 1RVW; 1SDK; 1SDL; 1SHR; 1SI4; 1THB; 1UIW; 1VWT; 1XXT; 1XY0; 1XYE; 1XZ2; 1XZ4; 1XZ5; 1XZ7; 1XZU; 1XZV; 1Y01; 1Y09; 1Y0A; 1Y0C; 1Y0D; 1Y0T; 1Y0W; 1Y22; 1Y2Z; 1Y31; 1Y35; 1Y45; 1Y46; 1Y4B; 1Y4F; 1Y4G; 1Y4P; 1Y4Q; 1Y4R; 1Y4V; 1Y5F; 1Y5J; 1Y5K; 1Y7C; 1Y7D; 1Y7G; 1Y7Z; 1Y83; 1Y85; 1Y8W; 1YDZ; 1YE0; 1YE1; 1YE2; 1YEN; 1YEO; 1YEQ; 1YEU; 1YEV; 1YFF; 1YG5; 1YGD; 1YGF; 1YH9; 1YHE; 1YHR; 1YIE; 1YIH; 1YVQ; 1YVT; 1YZI; 1Z8U; 2D5Z; 2D60; 2DN1; 2DN2; 2DN3; 2DXM; 2H35; 2HBC; 2HBD; 2HBE; 2HBF; 2HBS; 2HCO; 2HHB; 2HHD; 2HHE; 2M6Z; 2W6V; 2W72; 2YRS; 3B75; 3D17; 3D7O; 3DUT; 3HHB; 3HXN; 3IA3; 3IC0; 3IC2; 3KMF; 3NL7; 3NMM; 3ODQ; 3ONZ; 3OO4; 3OO5; 3OVU; 3P5Q; 3QJB; 3QJC; 3QJD; 3QJE; 3R5I; 3S48; 3S65; 3S66; 3SZK; 3WCP; 3WHM; 4FC3; 4HHB; 4IJ2; 4L7Y; 4M4A; 4M4B; 4MQC; 4MQG; 4MQH; 4MQI; 4MQJ; 4MQK; 4N7N; 4N7O; 4N7P; 4N8T; 4NI0; 4NI1; 4ROL; 4ROM; 4WJG; 4X0I; 4X0L; 4XS0; 5E29; 5E6E; 5EE4; 6HBW
19 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 17.1%
20 KLKB1 P03952 Plasma kallikrein hsa04610 2ANW; 2ANY; 4OGX; 4OGY; 4ZJ4; 4ZJ5; 4ZJ6 17.0%


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.


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.