Results
Compound | Target ID | Protein name | Protein family | Gene symbol | Gene ID | Organism | Score | Rank |
---|---|---|---|---|---|---|---|---|
[1] UntitledOriginal SMILES: Prepared SMILES: | P00918 | Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA2 | 760; | Homo sapiens (Human) | 0.0279191 | Known |
P00915 | Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA1 | 759; | Homo sapiens (Human) | 0.0226093 | 1 | |
Q16790 | Carbonic anhydrase 9 (EC 4.2.1.1) (Carbonate dehydratase IX) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA9 | 768; | Homo sapiens (Human) | 0.0141475 | 2 | |
O43570 | Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA12 | 771; | Homo sapiens (Human) | 0.0137358 | 3 | |
Q9ULX7 | Carbonic anhydrase 14 (EC 4.2.1.1) (Carbonate dehydratase XIV) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA14 | 23632; | Homo sapiens (Human) | 0.0101504 | 4 | |
P43166 | Carbonic anhydrase 7 (EC 4.2.1.1) (Carbonate dehydratase VII) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA7 | 766; | Homo sapiens (Human) | 0.00985453 | 5 | |
P35218 | Carbonic anhydrase 5A, mitochondrial (EC 4.2.1.1) (Carbonate dehydratase VA) (Carbonic ... | Alpha-carbonic anhydrase family | CA5A | 763; | Homo sapiens (Human) | 0.00967508 | 6 | |
P22748 | Carbonic anhydrase 4 (EC 4.2.1.1) (Carbonate dehydratase IV) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA4 | 762; | Homo sapiens (Human) | 0.00964346 | 7 | |
P23280 | Carbonic anhydrase 6 (EC 4.2.1.1) (Carbonate dehydratase VI) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA6 | 765; | Homo sapiens (Human) | 0.00955559 | 8 | |
Q9Y2D0 | Carbonic anhydrase 5B, mitochondrial (EC 4.2.1.1) (Carbonate dehydratase VB) (Carbonic ... | Alpha-carbonic anhydrase family | CA5B | 11238; | Homo sapiens (Human) | 0.00899972 | 9 | |
P07451 | Carbonic anhydrase 3 (EC 4.2.1.1) (Carbonate dehydratase III) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA3 | 761; | Homo sapiens (Human) | 0.00697333 | 10 | |
Q8N1Q1 | Carbonic anhydrase 13 (EC 4.2.1.1) (Carbonate dehydratase XIII) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA13 | 377677; | Homo sapiens (Human) | 0.00384313 | 11 | |
P08842 | Steryl-sulfatase (EC 3.1.6.2) (Arylsulfatase C) (ASC) (Steroid sulfatase) (Steryl-sulfate sulfohydrolase) | Sulfatase family | STS | 412; | Homo sapiens (Human) | 0.00218111 | 12 | |
P02144 | Myoglobin | Globin family | MB | 4151; | Homo sapiens (Human) | 0.00217857 | 13 | |
P09923 | Intestinal-type alkaline phosphatase (IAP) (Intestinal alkaline phosphatase) (EC 3.1.3.1) | Alkaline phosphatase family | ALPI | 248; | Homo sapiens (Human) | 0.00198851 | 14 | |
Q92731 | Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ... | Nuclear hormone receptor family, NR3 subfamily | ESR2 | 2100; | Homo sapiens (Human) | 0.00160542 | 15 | |
P10253 | Lysosomal alpha-glucosidase (EC 3.2.1.20) (Acid maltase) (Aglucosidase alfa) [Cleaved into: ... | Glycosyl hydrolase 31 family | GAA | 2548; | Homo sapiens (Human) | 0.00156893 | 16 | |
P03372 | Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ... | Nuclear hormone receptor family, NR3 subfamily | ESR1 | 2099; | Homo sapiens (Human) | 0.00152175 | 17 | |
P27338 | Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ... | Flavin monoamine oxidase family | MAOB | 4129; | Homo sapiens (Human) | 0.00147884 | 18 | |
Q99714 | 3-hydroxyacyl-CoA dehydrogenase type-2 (EC 1.1.1.35) (17-beta-hydroxysteroid dehydrogenase 10) (17-beta-HSD 10) ... | Short-chain dehydrogenases/reductases (SDR) family | HSD17B10 | 3028; | Homo sapiens (Human) | 0.00142603 | 19 | |
Q9H2X9 | Solute carrier family 12 member 5 (Electroneutral potassium-chloride cotransporter 2) ... | SLC12A transporter family | SLC12A5 | 57468; | Homo sapiens (Human) | 0.00135479 | 20 | |
P35354 | Prostaglandin G/H synthase 2 (EC 1.14.99.1) (Cyclooxygenase-2) (COX-2) (PHS II) ... | Prostaglandin G/H synthase family | PTGS2 | 5743; | Homo sapiens (Human) | 0.00129049 | 21 | |
Q16678 | Cytochrome P450 1B1 (EC 1.14.14.1) (CYPIB1) | Cytochrome P450 family | CYP1B1 | 1545; | Homo sapiens (Human) | 0.00126117 | 22 | |
P52895 | Aldo-keto reductase family 1 member C2 (EC 1.-.-.-) (3-alpha-HSD3) (Chlordecone ... | Aldo/keto reductase family | AKR1C2 | 1646; | Homo sapiens (Human) | 0.00125717 | 23 | |
P11511 | Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ... | Cytochrome P450 family | CYP19A1 | 1588; | Homo sapiens (Human) | 0.0012479 | 24 | |
Q9NY33 | Dipeptidyl peptidase 3 (EC 3.4.14.4) (Dipeptidyl aminopeptidase III) (Dipeptidyl arylamidase ... | Peptidase M49 family | DPP3 | 10072; | Homo sapiens (Human) | 0.00124348 | 25 | |
Q96KQ7 | Histone-lysine N-methyltransferase EHMT2 (EC 2.1.1.-) (EC 2.1.1.43) (Euchromatic histone-lysine N-methyltransferase ... | Class V-like SAM-binding methyltransferase superfamily, Histone-lysine methyltransferase family, Suvar3-9 subfamily | EHMT2 | 10919; | Homo sapiens (Human) | 0.00123868 | 26 | |
O75608 | Acyl-protein thioesterase 1 (APT-1) (hAPT1) (EC 3.1.2.-) (Lysophospholipase 1) (Lysophospholipase ... | AB hydrolase superfamily, AB hydrolase 2 family | LYPLA1 | 10434; | Homo sapiens (Human) | 0.00119736 | 27 | |
O95372 | Acyl-protein thioesterase 2 (APT-2) (EC 3.1.2.-) (Lysophospholipase II) (LPL-II) (LysoPLA ... | AB hydrolase superfamily, AB hydrolase 2 family | LYPLA2 | 11313; | Homo sapiens (Human) | 0.00119736 | 28 | |
P39748 | Flap endonuclease 1 (FEN-1) (EC 3.1.-.-) (DNase IV) (Flap structure-specific ... | XPG/RAD2 endonuclease family, FEN1 subfamily | FEN1 | 2237; | Homo sapiens (Human) | 0.0011907 | 29 | |
P05186 | Alkaline phosphatase, tissue-nonspecific isozyme (AP-TNAP) (TNSALP) (EC 3.1.3.1) (Alkaline phosphatase ... | Alkaline phosphatase family | ALPL | 249; | Homo sapiens (Human) | 0.00117927 | 30 | |
Q13822 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (E-NPP 2) (EC 3.1.4.39) (Autotaxin) ... | Nucleotide pyrophosphatase/phosphodiesterase family | ENPP2 | 5168; | Homo sapiens (Human) | 0.00113736 | 31 | |
P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] (15-PGDH) (EC 1.1.1.141) (Prostaglandin dehydrogenase 1) (Short ... | Short-chain dehydrogenases/reductases (SDR) family | HPGD | 3248; | Homo sapiens (Human) | 0.00113166 | 32 | |
Q4U2R8 | Solute carrier family 22 member 6 (Organic anion transporter 1) ... | Major facilitator (TC 2.A.1) superfamily, Organic cation transporter (TC 2.A.1.19) ... | SLC22A6 | 9356; | Homo sapiens (Human) | 0.00112995 | 33 | |
P47989 | Xanthine dehydrogenase/oxidase [Includes: Xanthine dehydrogenase (XD) (EC 1.17.1.4); Xanthine oxidase ... | Xanthine dehydrogenase family | XDH | 7498; | Homo sapiens (Human) | 0.00107824 | 34 | |
P27695 | DNA-(apurinic or apyrimidinic site) lyase (EC 3.1.-.-) (EC 4.2.99.18) (APEX ... | DNA repair enzymes AP/ExoA family | APEX1 | 328; | Homo sapiens (Human) | 0.00104355 | 35 | |
Q9NZ45 | CDGSH iron-sulfur domain-containing protein 1 (MitoNEET) | CISD protein family | CISD1 | 55847; | Homo sapiens (Human) | 0.00100696 | 36 | |
P22303 | Acetylcholinesterase (AChE) (EC 3.1.1.7) | Type-B carboxylesterase/lipase family | ACHE | 43; | Homo sapiens (Human) | 0.000915592 | 37 | |
Q16236 | Nuclear factor erythroid 2-related factor 2 (NF-E2-related factor 2) (NFE2-related ... | BZIP family, CNC subfamily | NFE2L2 | 4780; | Homo sapiens (Human) | 0.000911897 | 38 | |
P37058 | Testosterone 17-beta-dehydrogenase 3 (EC 1.1.1.64) (17-beta-hydroxysteroid dehydrogenase type 3) (17-beta-HSD ... | Short-chain dehydrogenases/reductases (SDR) family, 17-beta-HSD 3 subfamily | HSD17B3 | 3293; | Homo sapiens (Human) | 0.00091173 | 39 | |
P14061 | Estradiol 17-beta-dehydrogenase 1 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 1) (17-beta-HSD ... | Short-chain dehydrogenases/reductases (SDR) family | HSD17B1 | 3292; | Homo sapiens (Human) | 0.000906143 | 40 | |
Q16665 | Hypoxia-inducible factor 1-alpha (HIF-1-alpha) (HIF1-alpha) (ARNT-interacting protein) (Basic-helix-loop-helix-PAS protein MOP1) ... | HIF1A | 3091; | Homo sapiens (Human) | 0.000898657 | 41 | ||
P34972 | Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5) | G-protein coupled receptor 1 family | CNR2 | 1269; | Homo sapiens (Human) | 0.000897812 | 42 | |
P42330 | Aldo-keto reductase family 1 member C3 (EC 1.-.-.-) (17-beta-hydroxysteroid dehydrogenase ... | Aldo/keto reductase family | AKR1C3 | 8644; | Homo sapiens (Human) | 0.000893832 | 43 | |
P00403 | Cytochrome c oxidase subunit 2 (Cytochrome c oxidase polypeptide II) | Cytochrome c oxidase subunit 2 family | MT-CO2 | 4513; | Homo sapiens (Human) | 0.000881704 | 44 | |
P00352 | Retinal dehydrogenase 1 (RALDH 1) (RalDH1) (EC 1.2.1.-) (EC 1.2.1.36) ... | Aldehyde dehydrogenase family | ALDH1A1 | 216; | Homo sapiens (Human) | 0.000845426 | 45 | |
P23975 | Sodium-dependent noradrenaline transporter (Norepinephrine transporter) (NET) (Solute carrier family 6 ... | Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A2 subfamily | SLC6A2 | 6530; | Homo sapiens (Human) | 0.000840071 | 46 | |
P10275 | Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ... | Nuclear hormone receptor family, NR3 subfamily | AR | 367; | Homo sapiens (Human) | 0.000836229 | 47 | |
P23219 | Prostaglandin G/H synthase 1 (EC 1.14.99.1) (Cyclooxygenase-1) (COX-1) (Prostaglandin H2 ... | Prostaglandin G/H synthase family | PTGS1 | 5742; | Homo sapiens (Human) | 0.000827738 | 48 | |
P14324 | Farnesyl pyrophosphate synthase (FPP synthase) (FPS) (EC 2.5.1.10) ((2E,6E)-farnesyl diphosphate ... | FPP/GGPP synthase family | FDPS | 2224; | Homo sapiens (Human) | 0.00081013 | 49 | |
O75493 | Carbonic anhydrase-related protein 11 (CA-RP XI) (CA-XI) (CARP XI) (Carbonic ... | Alpha-carbonic anhydrase family | CA11 | 770; | Homo sapiens (Human) | 0.000804798 | 50 |
Job Information
Job ID | Submitted date | Prediction type | Method | Network | Molecular fingerprint | Other parameter(s) | Score matrix |
---|---|---|---|---|---|---|---|
10214 | 2024-04-23 18:17:23 | Target proteins | Balanced Substructure-Drug-Target Network-Based Inference (bSDTNBI) | Global drug-target interaction (DTI) network (version 2020) | MACCS Download | α = 0.4, β = 0.9, γ = -0.7, k = 2, Top 50 | Download |