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CompoundTarget IDProtein namesProtein familiesGene symbolsGene IDOrganismScoreRank

[1] Untitled

Original SMILES:
CSC(=O)OCC1=C[C@@H]([C@H]2[C@@H]1[C@@H](OC=C2C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O

Prepared SMILES:
OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2C(=C[C@@H]3O)COC(=O)SC)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O

Q9UHC9NPC1-like intracellular cholesterol transporter 1 (NPC1L1) (Niemann-Pick C1-like protein 1)Patched familyQ9UHC929881Homo sapiens (Human)0.001340031
P35398Nuclear receptor ROR-alpha (Nuclear receptor RZR-alpha) (Nuclear receptor subfamily 1 ...Nuclear hormone receptor family, NR1 subfamilyP353986095Homo sapiens (Human)0.001053542
P31639Sodium/glucose cotransporter 2 (Na(+)/glucose cotransporter 2) (Low affinity sodium-glucose cotransporter) ...Sodium:solute symporter (SSF) (TC 2.A.21) familyP316396524Homo sapiens (Human)0.0007496113
Q9NY91Solute carrier family 5 member 4Sodium:solute symporter (SSF) (TC 2.A.21) familyQ9NY916527Homo sapiens (Human)0.0007104144
O75496GemininGeminin familyO7549651053Homo sapiens (Human)0.0006777595
Q9NUW8Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)Tyrosyl-DNA phosphodiesterase familyQ9NUW855775Homo sapiens (Human)0.0006570196
P02545Prelamin-A/C [Cleaved into: Lamin-A/C (70 kDa lamin) (Renal carcinoma antigen ...Intermediate filament familyP025454000Homo sapiens (Human)0.0005696347
Q15391P2Y purinoceptor 14 (P2Y14) (G-protein coupled receptor 105) (UDP-glucose receptor)G-protein coupled receptor 1 familyQ153919934Homo sapiens (Human)0.00045288
Q9Y256CAAX prenyl protease 2 (EC 3.4.-.-) (Farnesylated proteins-converting enzyme 2) ...Peptidase U48 familyQ9Y2569986Homo sapiens (Human)0.0004303189
Q96KQ7Histone-lysine N-methyltransferase EHMT2 (EC 2.1.1.-) (EC 2.1.1.367) (Euchromatic histone-lysine N-methyltransferase ...Class V-like SAM-binding methyltransferase superfamily, Histone-lysine methyltransferase family, Suvar3-9 subfamilyQ96KQ710919Homo sapiens (Human)0.00042768110
Q16236Nuclear factor erythroid 2-related factor 2 (NF-E2-related factor 2) (NFE2-related ...BZIP family, CNC subfamilyQ162364780Homo sapiens (Human)0.00041940611
P51449Nuclear receptor ROR-gamma (Nuclear receptor RZR-gamma) (Nuclear receptor subfamily 1 ...Nuclear hormone receptor family, NR1 subfamilyP514496097Homo sapiens (Human)0.00039025912
Q9NSA0Solute carrier family 22 member 11 (Organic anion transporter 4) ...Major facilitator (TC 2.A.1) superfamily, Organic cation transporter (TC 2.A.1.19) ...Q9NSA055867Homo sapiens (Human)0.00038720513
P04278Sex hormone-binding globulin (SHBG) (Sex steroid-binding protein) (SBP) (Testis-specific androgen-binding ...P042786462Homo sapiens (Human)0.00038653314
P13866Sodium/glucose cotransporter 1 (Na(+)/glucose cotransporter 1) (High affinity sodium-glucose cotransporter) ...Sodium:solute symporter (SSF) (TC 2.A.21) familyP138666523Homo sapiens (Human)0.0003796415
P27695DNA-(apurinic or apyrimidinic site) endonuclease (EC 3.1.11.2) (APEX nuclease) (APEN) ...DNA repair enzymes AP/ExoA familyP27695328Homo sapiens (Human)0.00037287116
O75874Isocitrate dehydrogenase [NADP] cytoplasmic (IDH) (IDH1) (EC 1.1.1.42) (Cytosolic NADP-isocitrate ...Isocitrate and isopropylmalate dehydrogenases familyO758743417Homo sapiens (Human)0.00037239517
P040353-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA reductase) (EC 1.1.1.34)HMG-CoA reductase familyP040353156Homo sapiens (Human)0.00034028818
Q8TCC7Organic anion transporter 3 (hOAT3) (Organic anion/dicarboxylate exchanger) (Solute carrier ...Major facilitator (TC 2.A.1) superfamily, Organic cation transporter (TC 2.A.1.19) ...Q8TCC79376Homo sapiens (Human)0.00032659219
P84022Mothers against decapentaplegic homolog 3 (MAD homolog 3) (Mad3) (Mothers ...Dwarfin/SMAD familyP840224088Homo sapiens (Human)0.00032193520
P04746Pancreatic alpha-amylase (PA) (EC 3.2.1.1) (1,4-alpha-D-glucan glucanohydrolase)Glycosyl hydrolase 13 familyP04746279Homo sapiens (Human)0.00031721721
P10828Thyroid hormone receptor beta (Nuclear receptor subfamily 1 group A ...Nuclear hormone receptor family, NR1 subfamilyP108287068Homo sapiens (Human)0.00030354822
P54707Potassium-transporting ATPase alpha chain 2 (HK alpha 2) (Non-gastric H(+)/K(+) ...Cation transport ATPase (P-type) (TC 3.A.3) family, Type IIC subfamilyP54707479Homo sapiens (Human)0.00029870923
P00915Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyP00915759Homo sapiens (Human)0.00028676124
Q4U2R8Solute carrier family 22 member 6 (Organic anion transporter 1) ...Major facilitator (TC 2.A.1) superfamily, Organic cation transporter (TC 2.A.1.19) ...Q4U2R89356Homo sapiens (Human)0.00028212925
Q9Y6L6Solute carrier organic anion transporter family member 1B1 (SLCO1B1) (Liver-specific ...Organo anion transporter (TC 2.A.60) familyQ9Y6L610599Homo sapiens (Human)0.00027933226
O60502Protein O-GlcNAcase (OGA) (EC 3.2.1.169) (Beta-N-acetylglucosaminidase) (Beta-N-acetylhexosaminidase) (Beta-hexosaminidase) (Meningioma-expressed antigen ...Glycosyl hydrolase 84 familyO6050210724Homo sapiens (Human)0.00027718127
Q04609Glutamate carboxypeptidase 2 (EC 3.4.17.21) (Cell growth-inhibiting gene 27 protein) ...Peptidase M28 family, M28B subfamilyQ046092346Homo sapiens (Human)0.0002744628
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyP00918760Homo sapiens (Human)0.00027029729
P12821Angiotensin-converting enzyme (ACE) (EC 3.4.15.1) (Dipeptidyl carboxypeptidase I) (Kininase II) ...Peptidase M2 familyP128211636Homo sapiens (Human)0.00026937630
Q96QE3ATPase family AAA domain-containing protein 5 (Chromosome fragility-associated gene 1 ...AAA ATPase familyQ96QE379915Homo sapiens (Human)0.00026770231
Q6ZQN7Solute carrier organic anion transporter family member 4C1 (OATP-H) (Organic ...Organo anion transporter (TC 2.A.60) familyQ6ZQN7353189Homo sapiens (Human)0.00026653832
P0DUB6Alpha-amylase 1A (EC 3.2.1.1) (1,4-alpha-D-glucan glucanohydrolase 1) (Salivary alpha-amylase)Glycosyl hydrolase 13 familyP0DUB6276Homo sapiens (Human)0.0002663333
P29033Gap junction beta-2 protein (Connexin-26) (Cx26)Connexin family, Beta-type (group I) subfamilyP290332706Homo sapiens (Human)0.00025385934
P37268Squalene synthase (SQS) (SS) (EC 2.5.1.21) (FPP:FPP farnesyltransferase) (Farnesyl-diphosphate farnesyltransferase) ...Phytoene/squalene synthase familyP372682222Homo sapiens (Human)0.00024612235
Q06710Paired box protein Pax-8Q067107849Homo sapiens (Human)0.00024532236
Q9HAS3Solute carrier family 28 member 3 (Concentrative Na(+)-nucleoside cotransporter 3) ...Concentrative nucleoside transporter (CNT) (TC 2.A.41) familyQ9HAS364078Homo sapiens (Human)0.00023468137
P43220Glucagon-like peptide 1 receptor (GLP-1 receptor) (GLP-1-R) (GLP-1R)G-protein coupled receptor 2 familyP432202740Homo sapiens (Human)0.0002322138
P49798Regulator of G-protein signaling 4 (RGP4) (RGS4)P497985999Homo sapiens (Human)0.00022176239
Q9GZU7Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 ...Q9GZU758190Homo sapiens (Human)0.00022048840
P11473Vitamin D3 receptor (VDR) (1,25-dihydroxyvitamin D3 receptor) (Nuclear receptor subfamily ...Nuclear hormone receptor family, NR1 subfamilyP114737421Homo sapiens (Human)0.00021581141
P16473Thyrotropin receptor (Thyroid-stimulating hormone receptor) (TSH-R)G-protein coupled receptor 1 family, FSH/LSH/TSH subfamilyP164737253Homo sapiens (Human)0.0002106742
P55263Adenosine kinase (AK) (EC 2.7.1.20) (Adenosine 5'-phosphotransferase)Carbohydrate kinase PfkB familyP55263132Homo sapiens (Human)0.00020498443
P46059Solute carrier family 15 member 1 (Intestinal H(+)/peptide cotransporter) (Oligopeptide ...Major facilitator superfamily, Proton-dependent oligopeptide transporter (POT/PTR) (TC 2.A.17) familyP460596564Homo sapiens (Human)0.0002040244
Q99700Ataxin-2 (Spinocerebellar ataxia type 2 protein) (Trinucleotide repeat-containing gene 13 ...Ataxin-2 familyQ997006311Homo sapiens (Human)0.00020289345
P10253Lysosomal alpha-glucosidase (EC 3.2.1.20) (Acid maltase) (Aglucosidase alfa) [Cleaved into: ...Glycosyl hydrolase 31 familyP102532548Homo sapiens (Human)0.00020203546
Q9Y253DNA polymerase eta (EC 2.7.7.7) (RAD30 homolog A) (Xeroderma pigmentosum ...DNA polymerase type-Y familyQ9Y2535429Homo sapiens (Human)0.00020105947
Q9UNA4DNA polymerase iota (EC 2.7.7.7) (Eta2) (RAD30 homolog B)DNA polymerase type-Y familyQ9UNA411201Homo sapiens (Human)0.00020054248
P22748Carbonic anhydrase 4 (EC 4.2.1.1) (Carbonate dehydratase IV) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyP22748762Homo sapiens (Human)0.00019983249
Q02127Dihydroorotate dehydrogenase (quinone), mitochondrial (DHOdehase) (EC 1.3.5.2) (Dihydroorotate oxidase)Dihydroorotate dehydrogenase family, Type 2 subfamilyQ021271723Homo sapiens (Human)0.00019982150

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
198282025-12-21
00:43:08		Target proteinsBalanced Substructure-Drug-Target Network-Based Inference (bSDTNBI)Global drug-target interaction (DTI) network for the study of AA13 (version 2022)Morgan fingerprint, similar to FCFP_4 Downloadα = 0.3, β = 0.1, γ = -0.5, k = 2, Top 50Download

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