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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: DB11994
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Investigational		 SmallMoleculeDrug DB11994 Diacerein Thumb


11 known interactions (targets) of input drug (DB11994): Diacerein
No. Gene UniProt ID Protein Name Pathway PDB
1 CYP2D6 P10635 Cytochrome P450 2D6 hsa00980; hsa00982; hsa01522; hsa04726 2F9Q; 3QM4; 3TBG; 3TDA; 4WNT; 4WNU; 4WNV; 4WNW; 4XRY; 4XRZ
2 NR1H3 Q13133 Oxysterols receptor LXR-alpha hsa03320; hsa04931; hsa04932; hsa05160 1UHL; 3IPQ; 3IPS; 3IPU; 5AVI; 5AVL
3 CYP2E1 P05181 Cytochrome P450 2E1 hsa00140; hsa00590; hsa00591; hsa00980; hsa00982; hsa00983; hsa01100; hsa04932; hsa05204 3E4E; 3E6I; 3GPH; 3KOH; 3LC4; 3T3Z
4 CYP3A7 P24462 Cytochrome P450 3A7 NA NA
5 NR1H2 P55055 Oxysterols receptor LXR-beta hsa04931 1P8D; 1PQ6; 1PQ9; 1PQC; 1UPV; 1UPW; 3KFC; 3L0E; 4DK7; 4DK8; 4NQA; 4RAK
6 ALOX5 P09917 Arachidonate 5-lipoxygenase hsa00590; hsa01100; hsa04664; hsa04726; hsa04913; hsa05145 2ABV; 3O8Y; 3V92; 3V98; 3V99
7 CYP3A4 P08684 Cytochrome P450 3A4 hsa00140; hsa00591; hsa00830; hsa00980; hsa00982; hsa00983; hsa01100; hsa04976; hsa05204
8 CYP3A43 Q9HB55 Cytochrome P450 3A43 hsa05204 NA
9 CYP1A2 P05177 Cytochrome P450 1A2 hsa00140; hsa00232; hsa00380; hsa00591; hsa00830; hsa00980; hsa00982; hsa01100; hsa05204 2HI4
10 CYP2C9 P11712 Cytochrome P450 2C9 hsa00590; hsa00591; hsa00830; hsa00980; hsa00982; hsa01100; hsa04726; hsa05204 1OG2; 1OG5; 1R9O; 4NZ2
11 CYP3A5 P20815 Cytochrome P450 3A5 hsa00140; hsa00830; hsa00980; hsa00982; hsa01100; hsa05204 NA


20 predicted interactions (targets) of input drug (DB11994): Diacerein
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 GABBR1 Q9UBS5 Gamma-aminobutyric acid type B receptor subunit 1 hsa04024; hsa04080; hsa04727; hsa04742; hsa04915; hsa05032 4MQE; 4MQF; 4MR7; 4MR8; 4MR9; 4MRM; 4MS1; 4MS3; 4MS4; 4PAS 32.7%
2 NR1I3 Q14994 Nuclear receptor subfamily 1 group I member 3 NA 1XV9; 1XVP 32.5%
3 GSTM1 P09488 Glutathione S-transferase Mu 1 hsa00480; hsa00980; hsa00982; hsa00983; hsa01524; hsa05200; hsa05204; hsa05225; hsa05418 1GTU; 1XW6; 1XWK; 1YJ6; 2F3M 26.9%
4 AKR1B1 P15121 Aldose reductase hsa00040; hsa00051; hsa00052; hsa00561; hsa00790; hsa01100
1ABN; 1ADS; 1AZ1; 1AZ2; 1EF3; 1EL3; 1IEI; 1MAR; 1PWL; 1PWM; 1T40; 1T41; 1US0; 1X96; 1X97; 1X98; 1XGD; 1Z3N; 1Z89; 1Z8A; 2ACQ; 2ACR; 2ACS; 2ACU; 2AGT; 2DUX; 2DUZ; 2DV0; 2F2K; 2FZ8; 2FZ9; 2FZB; 2FZD; 2HV5; 2HVN; 2HVO; 2I16; 2I17; 2IKG; 2IKH; 2IKI; 2IKJ; 2INE; 2INZ; 2IPW; 2IQ0; 2IQD; 2IS7; 2ISF; 2J8T; 2NVC; 2NVD; 2PD5; 2PD9; 2PDB; 2PDC; 2PDF; 2PDG; 2PDH; 2PDI; 2PDJ; 2PDK; 2PDL; 2PDM; 2PDN; 2PDP; 2PDQ; 2PDU; 2PDW; 2PDX; 2PDY; 2PEV; 2PF8; 2PFH; 2PZN; 2QXW; 2R24; 3BCJ; 3DN5; 3G5E; 3GHR; 3GHS; 3GHT; 3GHU; 3LBO; 3LD5; 3LEN; 3LEP; 3LQG; 3LQL; 3LZ3; 3LZ5; 3M0I; 3M4H; 3M64; 3MB9; 3MC5; 3ONB; 3ONC; 3P2V; 3Q65; 3Q67; 3RX2; 3RX3; 3RX4; 3S3G; 3T42; 3U2C; 3V35; 3V36; 4GCA; 4GQ0; 4IGS; 4JIR; 4LAU; 4LAZ; 4LB3; 4LB4; 4LBR; 4LBS; 4NKC; 4PR4; 4PRR; 4PRT; 4PUU; 4PUW; 4Q7B; 4QBX; 4QR6; 4QX4; 4QXI; 4RPQ; 4XZH; 4XZI
 25.0%
5 NCOA2 Q15596 Nuclear receptor coactivator 2 hsa04915; hsa04919 24.7%
6 DRD2 P14416 D(2) dopamine receptor hsa04015; hsa04024; hsa04080; hsa04540; hsa04728; hsa05012; hsa05030; hsa05034 1I15; 5AER 24.6%
7 HTR2A P28223 5-hydroxytryptamine receptor 2A hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 NA 24.4%
8 CHUK O15111 Inhibitor of nuclear factor kappa-B kinase subunit alpha hsa01523; hsa04010; hsa04014; hsa04062; hsa04064; hsa04068; hsa04150; hsa04151; hsa04210; hsa04380; hsa04620; hsa04621; hsa04622; hsa04623; hsa04625; hsa04657; hsa04658; hsa04659; hsa04660; hsa04662; hsa04668; hsa04920; hsa05120; hsa05131; hsa05142; hsa05145; hsa05160; hsa05161; hsa05162; hsa05163; hsa05165; hsa05166; hsa05167; hsa05168; hsa05169; hsa05170; hsa05200; hsa05212; hsa05215; hsa05220; hsa05221; hsa05222; hsa05418 3BRT 23.2%
9 SHBG P04278 Sex hormone-binding globulin NA 1D2S; 1F5F; 1KDK; 1KDM; 1LHN; 1LHO; 1LHU; 1LHV; 1LHW 22.9%
10 IL6 P05231 Interleukin-6 hsa01521; hsa01523; hsa04060; hsa04066; hsa04068; hsa04151; hsa04218; hsa04620; hsa04621; hsa04623; hsa04625; hsa04630; hsa04640; hsa04657; hsa04659; hsa04668; hsa04672; hsa04931; hsa04932; hsa04933; hsa05020; hsa05132; hsa05133; hsa05134; hsa05142; hsa05143; hsa05144; hsa05146; hsa05152; hsa05161; hsa05162; hsa05163; hsa05164; hsa05166; hsa05167; hsa05168; hsa05200; hsa05202; hsa05321; hsa05323; hsa05332; hsa05410 1ALU; 1IL6; 1N2Q; 1P9M; 2IL6; 4CNI; 4J4L; 4NI7; 4NI9; 4O9H 22.3%
11 PARP1 P09874 Poly [ADP-ribose] polymerase 1 hsa03410; hsa04064; hsa04210; hsa04217 22.0%
12 CHRM1 P11229 Muscarinic acetylcholine receptor M1 hsa04020; hsa04024; hsa04080; hsa04151; hsa04725; hsa04810 NA 21.6%
13 SEC14L3 Q9UDX4 SEC14-like protein 3 NA 4UYB 21.6%
14 VEGFA P15692 Vascular endothelial growth factor A hsa01521; hsa04010; hsa04014; hsa04015; hsa04066; hsa04151; hsa04370; hsa04510; hsa04926; hsa04933; hsa05163; hsa05165; hsa05167; hsa05200; hsa05205; hsa05206; hsa05211; hsa05212; hsa05219; hsa05323; hsa05418 21.4%
15 CYP2C19 P33261 Cytochrome P450 2C19 hsa00590; hsa00591; hsa00982; hsa01100; hsa04726; hsa05204 4GQS 21.2%
16 EGLN2 Q96KS0 Egl nine homolog 2 hsa04066; hsa05200; hsa05211 NA 21.1%
17 DRD3 P35462 D(3) dopamine receptor hsa04080; hsa04728 3PBL 21.0%
18 CROT Q9UKG9 Peroxisomal carnitine O-octanoyltransferase hsa04146 NA 20.6%
19 CCL5 P13501 C-C motif chemokine 5 hsa04060; hsa04062; hsa04620; hsa04621; hsa04623; hsa04668; hsa05020; hsa05120; hsa05142; hsa05163; hsa05164; hsa05168; hsa05323 1B3A; 1EQT; 1HRJ; 1RTN; 1RTO; 1U4L; 1U4M; 1U4P; 1U4R; 2L9H; 2VXW 20.5%
20 TBXAS1 P24557 Thromboxane-A synthase hsa00590; hsa01100; hsa04611 NA 20.2%


  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.