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CompoundTarget IDProtein namesProtein familiesGene symbolsGene IDOrganismScoreRank

[1] Untitled

Original SMILES:
C1C2C(C3C(C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C8C9=C7C(=O)OC2=C(C(=C(C3=C(C(=C(C=C3C(=O)O1)O)O)O)C(=C92)C(=O)O8)O)O)O)O)O)O)O

Prepared SMILES:
OC1OC2COC(=O)c3cc(O)c(c(c3c3c(O)c(O)c4c5c3c(=O)oc3c(c(c(c6c(C(=O)OC2C2C1OC(=O)c1cc(O)c(c(c1c1c(C(=O)O2)cc(c(c1O)O)O)O)O)cc(O)c(c6O)O)c(c(=O)o4)c53)O)O)O)O

Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyQ927312100Homo sapiens (Human)0.001065541
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyP033722099Homo sapiens (Human)0.0009553372
Q01959Sodium-dependent dopamine transporter (DA transporter) (DAT) (Solute carrier family 6 ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A3 subfamilyQ019596531Homo sapiens (Human)0.000726263
P08842Steryl-sulfatase (EC 3.1.6.2) (Arylsulfatase C) (ASC) (Estrone sulfatase) (Steroid sulfatase) ...Sulfatase familyP08842412Homo sapiens (Human)0.0007046614
P31645Sodium-dependent serotonin transporter (SERT) (5HT transporter) (5HTT) (Solute carrier family ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A4 subfamilyP316456532Homo sapiens (Human)0.0006829565
Q168756-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (6PF-2-K/Fru-2,6-P2ase 3) (PFK/FBPase 3) (6PF-2-K/Fru-2,6-P2ase brain/placenta-type isozyme) (Renal ...Phosphoglycerate mutase familyQ168755209Homo sapiens (Human)0.0006470096
P10415Apoptosis regulator Bcl-2Bcl-2 familyP10415596Homo sapiens (Human)0.0006357547
Q9NUW8Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)Tyrosyl-DNA phosphodiesterase familyQ9NUW855775Homo sapiens (Human)0.0005753318
O75496GemininGeminin familyO7549651053Homo sapiens (Human)0.0005579049
O14746Telomerase reverse transcriptase (EC 2.7.7.49) (HEST2) (Telomerase catalytic subunit) (Telomerase-associated ...Reverse transcriptase family, Telomerase subfamilyO147467015Homo sapiens (Human)0.00054631310
P11142Heat shock cognate 71 kDa protein (EC 3.6.4.10) (Heat shock ...Heat shock protein 70 familyP111423312Homo sapiens (Human)0.00052402311
P27695DNA-(apurinic or apyrimidinic site) endonuclease (EC 3.1.11.2) (APEX nuclease) (APEN) ...DNA repair enzymes AP/ExoA familyP27695328Homo sapiens (Human)0.00052048512
Q14573Inositol 1,4,5-trisphosphate receptor type 3 (IP3 receptor isoform 3) (IP3R ...InsP3 receptor familyQ145733710Homo sapiens (Human)0.00051681113
P45974Ubiquitin carboxyl-terminal hydrolase 5 (EC 3.4.19.12) (Deubiquitinating enzyme 5) (Isopeptidase ...Peptidase C19 familyP459748078Homo sapiens (Human)0.00050894114
Q13107Ubiquitin carboxyl-terminal hydrolase 4 (EC 3.4.19.12) (Deubiquitinating enzyme 4) (Ubiquitin ...Peptidase C19 family, USP4 subfamilyQ131077375Homo sapiens (Human)0.00050894115
P0DMV8Heat shock 70 kDa protein 1A (Heat shock 70 kDa ...Heat shock protein 70 familyP0DMV83303Homo sapiens (Human)0.00050665216
Q9UBT6DNA polymerase kappa (EC 2.7.7.7) (DINB protein) (DINP)DNA polymerase type-Y familyQ9UBT651426Homo sapiens (Human)0.00049972517
P04746Pancreatic alpha-amylase (PA) (EC 3.2.1.1) (1,4-alpha-D-glucan glucanohydrolase)Glycosyl hydrolase 13 familyP04746279Homo sapiens (Human)0.00048260218
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)0.00048215519
P0DUB6Alpha-amylase 1A (EC 3.2.1.1) (1,4-alpha-D-glucan glucanohydrolase 1) (Salivary alpha-amylase)Glycosyl hydrolase 13 familyP0DUB6276Homo sapiens (Human)0.00047212720
Q16790Carbonic anhydrase 9 (EC 4.2.1.1) (Carbonate dehydratase IX) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyQ16790768Homo sapiens (Human)0.00046246321
P27338Amine oxidase [flavin-containing] B (EC 1.4.3.21) (EC 1.4.3.4) (Monoamine oxidase ...Flavin monoamine oxidase familyP273384129Homo sapiens (Human)0.00045382222
P16050Polyunsaturated fatty acid lipoxygenase ALOX15 (12/15-lipoxygenase) (Arachidonate 12-lipoxygenase, leukocyte-type) (12-LOX) ...Lipoxygenase familyP16050246Homo sapiens (Human)0.00042916923
P78527DNA-dependent protein kinase catalytic subunit (DNA-PK catalytic subunit) (DNA-PKcs) (EC ...PI3/PI4-kinase familyP785275591Homo sapiens (Human)0.00042588124
P22303Acetylcholinesterase (AChE) (EC 3.1.1.7)Type-B carboxylesterase/lipase familyP2230343Homo sapiens (Human)0.00041786925
P07101Tyrosine 3-monooxygenase (EC 1.14.16.2) (Tyrosine 3-hydroxylase) (TH)Biopterin-dependent aromatic amino acid hydroxylase familyP071017054Homo sapiens (Human)0.00040719126
P35354Prostaglandin G/H synthase 2 (EC 1.14.99.1) (Cyclooxygenase-2) (COX-2) (PHS II) ...Prostaglandin G/H synthase familyP353545743Homo sapiens (Human)0.00040473527
P1542815-hydroxyprostaglandin dehydrogenase [NAD(+)] (15-PGDH) (EC 1.1.1.141) (Eicosanoid/docosanoid dehydrogenase [NAD(+)]) (EC ...Short-chain dehydrogenases/reductases (SDR) familyP154283248Homo sapiens (Human)0.00040103228
P16083Ribosyldihydronicotinamide dehydrogenase [quinone] (EC 1.10.5.1) (NRH dehydrogenase [quinone] 2) (NRH:quinone ...NAD(P)H dehydrogenase (quinone) familyP160834835Homo sapiens (Human)0.00039898829
P1406117-beta-hydroxysteroid dehydrogenase type 1 (17-beta-HSD 1) (EC 1.1.1.51) (20 alpha-hydroxysteroid ...Short-chain dehydrogenases/reductases (SDR) familyP140613292Homo sapiens (Human)0.00039645630
Q01196Runt-related transcription factor 1 (Acute myeloid leukemia 1 protein) (Core-binding ...Q01196861Homo sapiens (Human)0.00039514531
P46063ATP-dependent DNA helicase Q1 (EC 3.6.4.12) (DNA helicase, RecQ-like type ...Helicase family, RecQ subfamilyP460635965Homo sapiens (Human)0.00039497132
Q997143-hydroxyacyl-CoA dehydrogenase type-2 (EC 1.1.1.35) (17-beta-estradiol 17-dehydrogenase) (EC 1.1.1.62) (2-methyl-3-hydroxybutyryl-CoA ...Short-chain dehydrogenases/reductases (SDR) familyQ997143028Homo sapiens (Human)0.00039421533
P3705917-beta-hydroxysteroid dehydrogenase type 2 (17-beta-HSD 2) (20 alpha-hydroxysteroid dehydrogenase) (20-alpha-HSD) ...Short-chain dehydrogenases/reductases (SDR) familyP370593294Homo sapiens (Human)0.0003791734
P14679Tyrosinase (EC 1.14.18.1) (LB24-AB) (Monophenol monooxygenase) (SK29-AB) (Tumor rejection antigen ...Tyrosinase familyP146797299Homo sapiens (Human)0.0003770635
Q9NRR2Tryptase gamma (EC 3.4.21.-) (Serine protease 31) (Transmembrane tryptase) [Cleaved ...Peptidase S1 family, Tryptase subfamilyQ9NRR225823Homo sapiens (Human)0.00036247836
P02545Prelamin-A/C [Cleaved into: Lamin-A/C (70 kDa lamin) (Renal carcinoma antigen ...Intermediate filament familyP025454000Homo sapiens (Human)0.00035703737
P10253Lysosomal alpha-glucosidase (EC 3.2.1.20) (Acid maltase) (Aglucosidase alfa) [Cleaved into: ...Glycosyl hydrolase 31 familyP102532548Homo sapiens (Human)0.00034098538
Q9UIF8Bromodomain adjacent to zinc finger domain protein 2B (hWALp4)WAL familyQ9UIF829994Homo sapiens (Human)0.00033524939
Q12809Potassium voltage-gated channel subfamily H member 2 (Eag homolog) (Ether-a-go-go-related ...Potassium channel family, H (Eag) (TC 1.A.1.20) subfamily, Kv11.1/KCNH2 sub-subfamilyQ128093757Homo sapiens (Human)0.0003298240
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyP144161813Homo sapiens (Human)0.00032775141
B2RXH2Lysine-specific demethylase 4E (EC 1.14.11.66) (KDM4D-like protein) (Lysine-specific demethylase 4D-like) ...JHDM3 histone demethylase familyB2RXH2390245Homo sapiens (Human)0.0003120742
O43570Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyO43570771Homo sapiens (Human)0.0003079843
Q07820Induced myeloid leukemia cell differentiation protein Mcl-1 (Bcl-2-like protein 3) ...Bcl-2 familyQ078204170Homo sapiens (Human)0.0003069844
P05177Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...Cytochrome P450 familyP051771544Homo sapiens (Human)0.00030318545
P10636Microtubule-associated protein tau (Neurofibrillary tangle protein) (Paired helical filament-tau) (PHF-tau)P106364137Homo sapiens (Human)0.00029894246
P05121Plasminogen activator inhibitor 1 (PAI) (PAI-1) (Endothelial plasminogen activator inhibitor) ...Serpin familyP051215054Homo sapiens (Human)0.00029713547
P21397Amine oxidase [flavin-containing] A (EC 1.4.3.21) (EC 1.4.3.4) (Monoamine oxidase ...Flavin monoamine oxidase familyP213974128Homo sapiens (Human)0.00029680548
P15559NAD(P)H dehydrogenase [quinone] 1 (EC 1.6.5.2) (Azoreductase) (DT-diaphorase) (DTD) (Menadione ...NAD(P)H dehydrogenase (quinone) familyP155591728Homo sapiens (Human)0.00029115549
P08684Cytochrome P450 3A4 (EC 1.14.14.1) (1,4-cineole 2-exo-monooxygenase) (1,8-cineole 2-exo-monooxygenase) (EC ...Cytochrome P450 familyP086841576Homo sapiens (Human)0.00028280650
Q96QE3ATPase family AAA domain-containing protein 5 (Chromosome fragility-associated gene 1 ...AAA ATPase familyQ96QE379915Homo sapiens (Human)0.00027941751
P09874Poly [ADP-ribose] polymerase 1 (PARP-1) (EC 2.4.2.30) (ADP-ribosyltransferase diphtheria toxin-like ...ARTD/PARP familyP09874142Homo sapiens (Human)0.00027784952
P14174Macrophage migration inhibitory factor (MIF) (EC 5.3.2.1) (Glycosylation-inhibiting factor) (GIF) ...MIF familyP141744282Homo sapiens (Human)0.00027377553
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyP00918760Homo sapiens (Human)0.0002737754
P21728D(1A) dopamine receptor (Dopamine D1 receptor)G-protein coupled receptor 1 familyP217281812Homo sapiens (Human)0.00027236755
Q07817Bcl-2-like protein 1 (Bcl2-L-1) (Apoptosis regulator Bcl-X)Bcl-2 familyQ07817598Homo sapiens (Human)0.0002716856
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyP349721269Homo sapiens (Human)0.00026899957
P35462D(3) dopamine receptor (Dopamine D3 receptor)G-protein coupled receptor 1 familyP354621814Homo sapiens (Human)0.00026881158
P43220Glucagon-like peptide 1 receptor (GLP-1 receptor) (GLP-1-R) (GLP-1R)G-protein coupled receptor 2 familyP432202740Homo sapiens (Human)0.00026720159
P04150Glucocorticoid receptor (GR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyP041502908Homo sapiens (Human)0.00026418760
O94925Glutaminase kidney isoform, mitochondrial (GLS) (EC 3.5.1.2) (K-glutaminase) (L-glutamine amidohydrolase) ...Glutaminase familyO949252744Homo sapiens (Human)0.00026256361
P06276Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) ...Type-B carboxylesterase/lipase familyP06276590Homo sapiens (Human)0.00026249562
P09917Polyunsaturated fatty acid 5-lipoxygenase (EC 1.13.11.-) (Arachidonate 5-lipoxygenase) (5-LO) (5-lipoxygenase) ...Lipoxygenase familyP09917240Homo sapiens (Human)0.00026246663
P10828Thyroid hormone receptor beta (Nuclear receptor subfamily 1 group A ...Nuclear hormone receptor family, NR1 subfamilyP108287068Homo sapiens (Human)0.00025964264
P11473Vitamin D3 receptor (VDR) (1,25-dihydroxyvitamin D3 receptor) (Nuclear receptor subfamily ...Nuclear hormone receptor family, NR1 subfamilyP114737421Homo sapiens (Human)0.0002587265
Q16236Nuclear factor erythroid 2-related factor 2 (NF-E2-related factor 2) (NFE2-related ...BZIP family, CNC subfamilyQ162364780Homo sapiens (Human)0.00025404566
P05067Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid A4 ...APP familyP05067351Homo sapiens (Human)0.00024702867
Q9HC29Nucleotide-binding oligomerization domain-containing protein 2 (Caspase recruitment domain-containing protein 15) ...Q9HC2964127Homo sapiens (Human)0.00024575568
P10635Cytochrome P450 2D6 (EC 1.14.14.-) (CYPIID6) (Cholesterol 25-hydroxylase) (Cytochrome P450-DB1) ...Cytochrome P450 familyP106351565Homo sapiens (Human)0.00024394969
O75874Isocitrate dehydrogenase [NADP] cytoplasmic (IDH) (IDH1) (EC 1.1.1.42) (Cytosolic NADP-isocitrate ...Isocitrate and isopropylmalate dehydrogenases familyO758743417Homo sapiens (Human)0.0002439370
P20813Cytochrome P450 2B6 (EC 1.14.13.-) (1,4-cineole 2-exo-monooxygenase) (CYPIIB6) (Cytochrome P450 ...Cytochrome P450 familyP208131555Homo sapiens (Human)0.0002421771
P33261Cytochrome P450 2C19 (EC 1.14.14.1) ((R)-limonene 6-monooxygenase) (EC 1.14.14.53) ((S)-limonene ...Cytochrome P450 familyP332611557Homo sapiens (Human)0.00024061772
P11712Cytochrome P450 2C9 (EC 1.14.14.1) ((R)-limonene 6-monooxygenase) (EC 1.14.14.53) ((S)-limonene ...Cytochrome P450 familyP117121559Homo sapiens (Human)0.00023810773
P49798Regulator of G-protein signaling 4 (RGP4) (RGS4)P497985999Homo sapiens (Human)0.00023602674
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyP115111588Homo sapiens (Human)0.0002340175
P54132RecQ-like DNA helicase BLM (EC 3.6.4.12) (Bloom syndrome protein) (DNA ...Helicase family, RecQ subfamilyP54132641Homo sapiens (Human)0.00023170276
P40238Thrombopoietin receptor (TPO-R) (Myeloproliferative leukemia protein) (Proto-oncogene c-Mpl) (CD antigen ...Type I cytokine receptor family, Type 1 subfamilyP402384352Homo sapiens (Human)0.00022976277
Q96KB5Lymphokine-activated killer T-cell-originated protein kinase (EC 2.7.12.2) (Cancer/testis antigen 84) ...Protein kinase superfamily, STE Ser/Thr protein kinase family, MAP kinase ...Q96KB555872Homo sapiens (Human)0.00022342378
P09884DNA polymerase alpha catalytic subunit (EC 2.7.7.7) (DNA polymerase alpha ...DNA polymerase type-B familyP098845422Homo sapiens (Human)0.00021966179
Q16548Bcl-2-related protein A1 (Bcl-2-like protein 5) (Bcl2-L-5) (Hemopoietic-specific early response ...Bcl-2 familyQ16548597Homo sapiens (Human)0.00021551680
Q136395-hydroxytryptamine receptor 4 (5-HT-4) (5-HT4) (Serotonin receptor 4)G-protein coupled receptor 1 familyQ136393360Homo sapiens (Human)0.00021481181
P00915Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyP00915759Homo sapiens (Human)0.00021394782
Q15077P2Y purinoceptor 6 (P2Y6)G-protein coupled receptor 1 familyQ150775031Homo sapiens (Human)0.00021366383
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyP215541268Homo sapiens (Human)0.00020635484
P47989Xanthine dehydrogenase/oxidase [Includes: Xanthine dehydrogenase (XD) (EC 1.17.1.4); Xanthine oxidase ...Xanthine dehydrogenase familyP479897498Homo sapiens (Human)0.00020583585
Q9UNA4DNA polymerase iota (EC 2.7.7.7) (Eta2) (RAD30 homolog B)DNA polymerase type-Y familyQ9UNA411201Homo sapiens (Human)0.00020332586
P0DMS8Adenosine receptor A3G-protein coupled receptor 1 familyP0DMS8140Homo sapiens (Human)0.00020102687
P089085-hydroxytryptamine receptor 1A (5-HT-1A) (5-HT1A) (G-21) (Serotonin receptor 1A)G-protein coupled receptor 1 family, 5-hydroxytryptamine receptor subfamily, HTR1A sub-subfamilyP089083350Homo sapiens (Human)0.00020086888
Q9ULX7Carbonic anhydrase 14 (EC 4.2.1.1) (Carbonate dehydratase XIV) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyQ9ULX723632Homo sapiens (Human)0.00020050489
P06746DNA polymerase beta (EC 2.7.7.7) (EC 4.2.99.-)DNA polymerase type-X familyP067465423Homo sapiens (Human)0.00020031990
Q00987E3 ubiquitin-protein ligase Mdm2 (EC 2.3.2.27) (Double minute 2 protein) ...MDM2/MDM4 familyQ009874193Homo sapiens (Human)0.000196691
P84022Mothers against decapentaplegic homolog 3 (MAD homolog 3) (Mad3) (Mothers ...Dwarfin/SMAD familyP840224088Homo sapiens (Human)0.00019460992
O95271Poly [ADP-ribose] polymerase tankyrase-1 (EC 2.4.2.30) (ADP-ribosyltransferase diphtheria toxin-like 5) ...ARTD/PARP familyO952718658Homo sapiens (Human)0.00019122193
P63092Guanine nucleotide-binding protein G(s) subunit alpha isoforms short (Adenylate cyclase-stimulating ...G-alpha family, G(s) subfamilyP630922778Homo sapiens (Human)0.00019002594
P07900Heat shock protein HSP 90-alpha (EC 3.6.4.10) (Heat shock 86 ...Heat shock protein 90 familyP079003320Homo sapiens (Human)0.0001899895
Q04760Lactoylglutathione lyase (EC 4.4.1.5) (Aldoketomutase) (Glyoxalase I) (Glx I) (Ketone-aldehyde ...Glyoxalase I familyQ047602739Homo sapiens (Human)0.00018840896
P54803Galactocerebrosidase (GALCERase) (EC 3.2.1.46) (Galactocerebroside beta-galactosidase) (Galactosylceramidase) (Galactosylceramide beta-galactosidase)Glycosyl hydrolase 59 familyP548032581Homo sapiens (Human)0.00018634497
Q9H244P2Y purinoceptor 12 (P2Y12) (ADP-glucose receptor) (ADPG-R) (P2T(AC)) (P2Y(AC)) (P2Y(cyc)) ...G-protein coupled receptor 1 familyQ9H24464805Homo sapiens (Human)0.00018571198
Q92830Histone acetyltransferase KAT2A (EC 2.3.1.48) (General control of amino acid ...Acetyltransferase family, GCN5 subfamilyQ928302648Homo sapiens (Human)0.00018401199
Q16665Hypoxia-inducible factor 1-alpha (HIF-1-alpha) (HIF1-alpha) (ARNT-interacting protein) (Basic-helix-loop-helix-PAS protein MOP1) ...Q166653091Homo sapiens (Human)0.00018304100

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
187952025-10-29
17:54:54		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 100Download

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