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CompoundTarget IDProtein namesProtein familiesGene symbolsGene IDOrganismScoreRank

[1] Untitled

Original SMILES:
C(=O)(/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C(=O)OC1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)\C)\C)/C)/C)OC1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO

Prepared SMILES:
OC[C@H]1O[C@H](OC[C@H]2OC(OC(=O)/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C(=O)OC3O[C@H](CO[C@H]4O[C@H](CO)[C@H]([C@@H]([C@H]4O)O)O)[C@H]([C@@H]([C@H]3O)O)O)\C)\C)/C)/C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O

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)0.0008516171
Q15391P2Y purinoceptor 14 (P2Y14) (G-protein coupled receptor 105) (UDP-glucose receptor)G-protein coupled receptor 1 familyQ153919934Homo sapiens (Human)0.0008404742
Q9NUW8Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)Tyrosyl-DNA phosphodiesterase familyQ9NUW855775Homo sapiens (Human)0.0008298993
O75496GemininGeminin familyO7549651053Homo sapiens (Human)0.0008216344
P31639Sodium/glucose cotransporter 2 (Na(+)/glucose cotransporter 2) (Low affinity sodium-glucose cotransporter) ...Sodium:solute symporter (SSF) (TC 2.A.21) familyP316396524Homo sapiens (Human)0.0007294845
Q15077P2Y purinoceptor 6 (P2Y6)G-protein coupled receptor 1 familyQ150775031Homo sapiens (Human)0.0006386226
P04746Pancreatic alpha-amylase (PA) (EC 3.2.1.1) (1,4-alpha-D-glucan glucanohydrolase)Glycosyl hydrolase 13 familyP04746279Homo sapiens (Human)0.0005971177
O14983Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (SERCA1) (SR Ca(2+)-ATPase 1) (EC ...Cation transport ATPase (P-type) (TC 3.A.3) family, Type IIA subfamilyO14983487Homo sapiens (Human)0.0005713998
P13866Sodium/glucose cotransporter 1 (Na(+)/glucose cotransporter 1) (High affinity sodium-glucose cotransporter) ...Sodium:solute symporter (SSF) (TC 2.A.21) familyP138666523Homo sapiens (Human)0.0005427959
Q9Y6L6Solute carrier organic anion transporter family member 1B1 (SLCO1B1) (Liver-specific ...Organo anion transporter (TC 2.A.60) familyQ9Y6L610599Homo sapiens (Human)0.00052062410
P19793Retinoic acid receptor RXR-alpha (Nuclear receptor subfamily 2 group B ...Nuclear hormone receptor family, NR2 subfamilyP197936256Homo sapiens (Human)0.00048681411
P02545Prelamin-A/C [Cleaved into: Lamin-A/C (70 kDa lamin) (Renal carcinoma antigen ...Intermediate filament familyP025454000Homo sapiens (Human)0.00048434312
P27695DNA-(apurinic or apyrimidinic site) endonuclease (EC 3.1.11.2) (APEX nuclease) (APEN) ...DNA repair enzymes AP/ExoA familyP27695328Homo sapiens (Human)0.0004790613
Q9NPD5Solute carrier organic anion transporter family member 1B3 (Liver-specific organic ...Organo anion transporter (TC 2.A.60) familyQ9NPD528234Homo sapiens (Human)0.00047547114
P41231P2Y purinoceptor 2 (P2Y2) (ATP receptor) (P2U purinoceptor 1) (P2U1) ...G-protein coupled receptor 1 familyP412315029Homo sapiens (Human)0.00047459615
P51449Nuclear receptor ROR-gamma (Nuclear receptor RZR-gamma) (Nuclear receptor subfamily 1 ...Nuclear hormone receptor family, NR1 subfamilyP514496097Homo sapiens (Human)0.00041478216
P49798Regulator of G-protein signaling 4 (RGP4) (RGS4)P497985999Homo sapiens (Human)0.00040160617
Q9NY91Solute carrier family 5 member 4Sodium:solute symporter (SSF) (TC 2.A.21) familyQ9NY916527Homo sapiens (Human)0.00039998218
P51582P2Y purinoceptor 4 (P2Y4) (P2P) (Uridine nucleotide receptor) (UNR)G-protein coupled receptor 1 familyP515825030Homo sapiens (Human)0.00039081119
Q16236Nuclear factor erythroid 2-related factor 2 (NF-E2-related factor 2) (NFE2-related ...BZIP family, CNC subfamilyQ162364780Homo sapiens (Human)0.00038502720
P0DUB6Alpha-amylase 1A (EC 3.2.1.1) (1,4-alpha-D-glucan glucanohydrolase 1) (Salivary alpha-amylase)Glycosyl hydrolase 13 familyP0DUB6276Homo sapiens (Human)0.0003753621
Q9UBT6DNA polymerase kappa (EC 2.7.7.7) (DINB protein) (DINP)DNA polymerase type-Y familyQ9UBT651426Homo sapiens (Human)0.00037359722
P02753Retinol-binding protein 4 (Plasma retinol-binding protein) (PRBP) (RBP) [Cleaved into: ...Calycin superfamily, Lipocalin familyP027535950Homo sapiens (Human)0.00037164223
Q8TDS5Oxoeicosanoid receptor 1 (5-oxo-ETE G-protein coupled receptor) (G-protein coupled receptor ...G-protein coupled receptor 1 familyQ8TDS5165140Homo sapiens (Human)0.0003684824
O75874Isocitrate dehydrogenase [NADP] cytoplasmic (IDH) (IDH1) (EC 1.1.1.42) (Cytosolic NADP-isocitrate ...Isocitrate and isopropylmalate dehydrogenases familyO758743417Homo sapiens (Human)0.00036034125
P29033Gap junction beta-2 protein (Connexin-26) (Cx26)Connexin family, Beta-type (group I) subfamilyP290332706Homo sapiens (Human)0.00035703126
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)0.00035603927
P07237Protein disulfide-isomerase (PDI) (EC 5.3.4.1) (Cellular thyroid hormone-binding protein) (Prolyl ...Protein disulfide isomerase familyP072375034Homo sapiens (Human)0.00035439728
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyP033722099Homo sapiens (Human)0.00033761929
Q9HAS3Solute carrier family 28 member 3 (Concentrative Na(+)-nucleoside cotransporter 3) ...Concentrative nucleoside transporter (CNT) (TC 2.A.41) familyQ9HAS364078Homo sapiens (Human)0.00032990730
P04150Glucocorticoid receptor (GR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyP041502908Homo sapiens (Human)0.00032835431
P84022Mothers against decapentaplegic homolog 3 (MAD homolog 3) (Mad3) (Mothers ...Dwarfin/SMAD familyP840224088Homo sapiens (Human)0.00031175632
P23416Glycine receptor subunit alpha-2Ligand-gated ion channel (TC 1.A.9) family, Glycine receptor (TC 1.A.9.3) ...P234162742Homo sapiens (Human)0.00030959133
P06865Beta-hexosaminidase subunit alpha (EC 3.2.1.52) (Beta-N-acetylhexosaminidase subunit alpha) (Hexosaminidase subunit ...Glycosyl hydrolase 20 familyP068653073Homo sapiens (Human)0.0003093634
P0DMS8Adenosine receptor A3G-protein coupled receptor 1 familyP0DMS8140Homo sapiens (Human)0.00030805635
Q16637Survival motor neuron protein (Component of gems 1) (Gemin-1)SMN familyQ166376606Homo sapiens (Human)0.00029716836
P48443Retinoic acid receptor RXR-gamma (Nuclear receptor subfamily 2 group B ...Nuclear hormone receptor family, NR2 subfamilyP484436258Homo sapiens (Human)0.00029487337
P10145Interleukin-8 (IL-8) (C-X-C motif chemokine 8) (Chemokine (C-X-C motif) ligand ...Intercrine alpha (chemokine CxC) familyP101453576Homo sapiens (Human)0.00029055138
P55263Adenosine kinase (AK) (EC 2.7.1.20) (Adenosine 5'-phosphotransferase)Carbohydrate kinase PfkB familyP55263132Homo sapiens (Human)0.00028877239
O94782Ubiquitin carboxyl-terminal hydrolase 1 (EC 3.4.19.12) (Deubiquitinating enzyme 1) (hUBP) ...Peptidase C19 familyO947827398Homo sapiens (Human)0.00028746740
Q96QE3ATPase family AAA domain-containing protein 5 (Chromosome fragility-associated gene 1 ...AAA ATPase familyQ96QE379915Homo sapiens (Human)0.0002871541
P28702Retinoic acid receptor RXR-beta (Nuclear receptor subfamily 2 group B ...Nuclear hormone receptor family, NR2 subfamilyP287026257Homo sapiens (Human)0.00028397242
P10253Lysosomal alpha-glucosidase (EC 3.2.1.20) (Acid maltase) (Aglucosidase alfa) [Cleaved into: ...Glycosyl hydrolase 31 familyP102532548Homo sapiens (Human)0.00027998743
P10828Thyroid hormone receptor beta (Nuclear receptor subfamily 1 group A ...Nuclear hormone receptor family, NR1 subfamilyP108287068Homo sapiens (Human)0.00027900144
Q00975Voltage-dependent N-type calcium channel subunit alpha-1B (Brain calcium channel III) ...Calcium channel alpha-1 subunit (TC 1.A.1.11) family, CACNA1B subfamilyQ00975774Homo sapiens (Human)0.00027136345
P04183Thymidine kinase, cytosolic (EC 2.7.1.21)Thymidine kinase familyP041837083Homo sapiens (Human)0.00027037946
P11473Vitamin D3 receptor (VDR) (1,25-dihydroxyvitamin D3 receptor) (Nuclear receptor subfamily ...Nuclear hormone receptor family, NR1 subfamilyP114737421Homo sapiens (Human)0.0002667147
O00206Toll-like receptor 4 (hToll) (CD antigen CD284)Toll-like receptor familyO002067099Homo sapiens (Human)0.00026578848
P07686Beta-hexosaminidase subunit beta (EC 3.2.1.52) (Beta-N-acetylhexosaminidase subunit beta) (Hexosaminidase subunit ...Glycosyl hydrolase 20 familyP076863074Homo sapiens (Human)0.00025810749
P07858Cathepsin B (EC 3.4.22.1) (APP secretase) (APPS) (Cathepsin B1) [Cleaved ...Peptidase C1 familyP078581508Homo sapiens (Human)0.00025252650

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
192132025-11-17
20:35:10		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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