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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: DB00313
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Investigational		 SmallMoleculeDrug DB00313 Valproic Acid Thumb


23 known interactions (targets) of input drug (DB00313): Valproic Acid
No. Gene UniProt ID Protein Name Pathway PDB
1 SCN8A Q9UQD0 Sodium channel protein type 8 subunit alpha NA NA
2 SCN2A Q99250 Sodium channel protein type 2 subunit alpha hsa04742 2KAV; 4JPZ
3 ACADSB P45954 Short/branched chain specific acyl-CoA dehydrogenase, mitochondrial hsa00071; hsa00280; hsa01100; hsa01212 2JIF
4 SCN7A Q01118 Sodium channel protein type 7 subunit alpha hsa04261 NA
5 SCN5A Q14524 Sodium channel protein type 5 subunit alpha hsa04261 2KBI; 2L53; 4DCK; 4DJC; 4JQ0; 4OVN
6 SCN1B Q07699 Sodium channel subunit beta-1 hsa04261 NA
7 SCN3B Q9NY72 Sodium channel subunit beta-3 NA 4L1D
8 SCN9A Q15858 Sodium channel protein type 9 subunit alpha hsa04742 NA
9 OGDH Q02218 2-oxoglutarate dehydrogenase, mitochondrial hsa00020; hsa00310; hsa00380; hsa01100; hsa01200 3ERY
10 SCN4A P35499 Sodium channel protein type 4 subunit alpha NA NA
11 PPARD Q03181 Peroxisome proliferator-activated receptor delta hsa03320; hsa04310; hsa05200; hsa05221
12 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
13 SCN2B O60939 Sodium channel subunit beta-2 NA NA
14 SCN1A P35498 Sodium channel protein type 1 subunit alpha hsa04728 NA
15 SCN11A Q9UI33 Sodium channel protein type 11 subunit alpha NA NA
16 SCN3A Q9NY46 Sodium channel protein type 3 subunit alpha hsa04742 NA
17 ALDH5A1 P51649 Succinate-semialdehyde dehydrogenase, mitochondrial hsa00250; hsa00650; hsa01100 2W8N; 2W8O; 2W8P; 2W8Q; 2W8R
18 HDAC2 Q92769 Histone deacetylase 2 hsa04110; hsa04213; hsa04330; hsa04919; hsa05016; hsa05034; hsa05165; hsa05169; hsa05200; hsa05202; hsa05203; hsa05220 3MAX; 4LXZ; 4LY1
19 ABAT P80404 4-aminobutyrate aminotransferase, mitochondrial hsa00250; hsa00280; hsa00410; hsa00640; hsa00650; hsa01100; hsa04727 NA
20 SCN10A Q9Y5Y9 Sodium channel protein type 10 subunit alpha NA NA
21 SCN4B Q8IWT1 Sodium channel subunit beta-4 hsa04261 4MZ2; 4MZ3
22 HDAC9 Q9UKV0 Histone deacetylase 9 hsa05034; hsa05165; hsa05203 NA
23 PPARG P37231 Peroxisome proliferator-activated receptor gamma hsa03320; hsa04152; hsa04211; hsa04380; hsa04714; hsa05016; hsa05200; hsa05202; hsa05216
1FM6; 1FM9; 1I7I; 1K74; 1KNU; 1NYX; 1PRG; 1RDT; 1WM0; 1ZEO; 1ZGY; 2ATH; 2F4B; 2FVJ; 2G0G; 2G0H; 2GTK; 2HFP; 2HWQ; 2HWR; 2I4J; 2I4P; 2I4Z; 2OM9; 2P4Y; 2POB; 2PRG; 2Q59; 2Q5P; 2Q5S; 2Q61; 2Q6R; 2Q6S; 2Q8S; 2QMV; 2VSR; 2VST; 2VV0; 2VV1; 2VV2; 2VV3; 2VV4; 2XKW; 2YFE; 2ZK0; 2ZK1; 2ZK2; 2ZK3; 2ZK4; 2ZK5; 2ZK6; 2ZNO; 2ZVT; 3ADS; 3ADT; 3ADU; 3ADV; 3ADW; 3ADX; 3AN3; 3AN4; 3B0Q; 3B0R; 3B1M; 3B3K; 3BC5; 3CDP; 3CDS; 3CS8; 3CWD; 3D6D; 3DZU; 3DZY; 3E00; 3ET0; 3ET3; 3FEJ; 3FUR; 3G9E; 3GBK; 3H0A; 3HO0; 3HOD; 3IA6; 3K8S; 3KMG; 3LMP; 3NOA; 3OSI; 3OSW; 3PBA; 3PO9; 3PRG; 3QT0; 3R5N; 3R8A; 3R8I; 3S9S; 3SZ1; 3T03; 3TY0; 3U9Q; 3V9T; 3V9V; 3V9Y; 3VJH; 3VJI; 3VN2; 3VSO; 3VSP; 3WJ4; 3WJ5; 3WMH; 3X1H; 3X1I; 4A4V; 4A4W; 4CI5; 4E4K; 4E4Q; 4EM9; 4EMA; 4F9M; 4FGY; 4HEE; 4JAZ; 4JL4; 4L96; 4L98; 4O8F; 4OJ4; 4PRG; 4PVU; 4PWL; 4R2U; 4R6S; 4XLD; 4XTA; 4XUM; 4Y29


20 predicted interactions (targets) of input drug (DB00313): Valproic Acid
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 MAOB P27338 Amine oxidase [flavin-containing] B hsa00260; hsa00330; hsa00340; hsa00350; hsa00360; hsa00380; hsa00982; hsa01100; hsa04726; hsa04728; hsa05030; hsa05031; hsa05034 41.3%
2 RXRA P19793 Retinoic acid receptor RXR-alpha hsa03320; hsa04151; hsa04659; hsa04919; hsa04920; hsa04928; hsa04932; hsa04976; hsa05160; hsa05200; hsa05202; hsa05216; hsa05222; hsa05223; hsa05226 37.8%
3 SV2A Q7L0J3 Synaptic vesicle glycoprotein 2A hsa04512 4V11 37.4%
4 MAOA P21397 Amine oxidase [flavin-containing] A hsa00260; hsa00330; hsa00340; hsa00350; hsa00360; hsa00380; hsa00982; hsa01100; hsa04726; hsa04728; hsa05030; hsa05031; hsa05034 1H8Q; 2BXR; 2BXS; 2Z5X; 2Z5Y 35.7%
5 RXRB P28702 Retinoic acid receptor RXR-beta hsa03320; hsa04659; hsa04919; hsa04920; hsa04928; hsa05200; hsa05202; hsa05216; hsa05222; hsa05223; hsa05226 1H9U; 1UHL 34.7%
6 HDAC6 Q9UBN7 Histone deacetylase 6 hsa05034; hsa05165; hsa05203 3C5K; 3GV4; 3PHD 33.8%
7 RXRG P48443 Retinoic acid receptor RXR-gamma hsa03320; hsa04659; hsa04919; hsa04920; hsa04928; hsa05200; hsa05202; hsa05216; hsa05222; hsa05223; hsa05226 2GL8 33.8%
8 CA13 Q8N1Q1 Carbonic anhydrase 13 hsa00910 3CZV; 3D0N; 3DA2; 4HU1; 4KNM; 4KNN; 4QIZ; 4QJP; 4QJX; 4QSJ 33.7%
9 HDAC1 Q13547 Histone deacetylase 1 hsa04110; hsa04213; hsa04330; hsa04919; hsa05016; hsa05031; hsa05034; hsa05165; hsa05169; hsa05200; hsa05202; hsa05203; hsa05206; hsa05220 1TYI; 4BKX 32.3%
10 CA11 O75493 Carbonic anhydrase-related protein 11 NA NA 31.5%
11 HDAC3 O15379 Histone deacetylase 3 hsa04919; hsa05034; hsa05165; hsa05203 4A69 31.2%
12 CA10 Q9NS85 Carbonic anhydrase-related protein 10 NA NA 30.9%
13 LTA4H P09960 Leukotriene A-4 hydrolase hsa00590; hsa01100 30.2%
14 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
 28.7%
15 ADH1C P00326 Alcohol dehydrogenase 1C hsa00010; hsa00071; hsa00350; hsa00830; hsa00980; hsa00982; hsa01100; hsa05204 1DDA; 1HT0; 1U3W 26.8%
16 CA14 Q9ULX7 Carbonic anhydrase 14 hsa00910 4LU3; 5CJF 26.6%
17 KCNA1 Q09470 Potassium voltage-gated channel subfamily A member 1 NA 2AFL 26.4%
18 DHRS4L1 P0CG22 Putative dehydrogenase/reductase SDR family member 4-like 1 NA NA 26.3%
19 CA5B Q9Y2D0 Carbonic anhydrase 5B, mitochondrial hsa00910 NA 26.3%
20 CA8 P35219 Carbonic anhydrase-related protein hsa00910 2W2J 26.1%


  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.