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CompoundTarget IDProtein namesProtein familiesGene symbolsGene IDOrganismScoreRank

[1] Untitled

Original SMILES:
C1C(C(C(N1)CO)O)O

Prepared SMILES:
OCC1NCC(C1O)O

P04066Tissue alpha-L-fucosidase (EC 3.2.1.51) (Alpha-L-fucosidase I) (Alpha-L-fucoside fucohydrolase 1) (Alpha-L-fucosidase ...Glycosyl hydrolase 29 familyP040662517Homo sapiens (Human)0.006174391
O43451Maltase-glucoamylase (Alpha-1,4-glucosidase) (EC 3.2.1.20)Glycosyl hydrolase 31 familyO434518972Homo sapiens (Human)0.002807522
P14410Sucrase-isomaltase, intestinal [Cleaved into: Sucrase (EC 3.2.1.48); Isomaltase (EC 3.2.1.10)]Glycosyl hydrolase 31 familyP144106476Homo sapiens (Human)0.002513913
P06280Alpha-galactosidase A (EC 3.2.1.22) (Alpha-D-galactosidase A) (Alpha-D-galactoside galactohydrolase) (Galactosylgalactosylglucosylceramidase GLA) ...Glycosyl hydrolase 27 familyP062802717Homo sapiens (Human)0.002309224
P10253Lysosomal alpha-glucosidase (EC 3.2.1.20) (Acid maltase) (Aglucosidase alfa) [Cleaved into: ...Glycosyl hydrolase 31 familyP102532548Homo sapiens (Human)0.001984375
Q9HCG7Non-lysosomal glucosylceramidase (NLGase) (EC 3.2.1.45) (Beta-glucocerebrosidase 2) (Beta-glucosidase 2) (Bile ...Non-lysosomal glucosylceramidase familyQ9HCG757704Homo sapiens (Human)0.001885376
Q14697Neutral alpha-glucosidase AB (EC 3.2.1.207) (Alpha-glucosidase 2) (Glucosidase II subunit ...Glycosyl hydrolase 31 familyQ1469723193Homo sapiens (Human)0.001880327
P04062Lysosomal acid glucosylceramidase (Lysosomal acid GCase) (EC 3.2.1.45) (Acid beta-glucosidase) ...Glycosyl hydrolase 30 familyP040622629Homo sapiens (Human)0.00185468
P07550Beta-2 adrenergic receptor (Beta-2 adrenoreceptor) (Beta-2 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB2 sub-subfamilyP07550154Homo sapiens (Human)0.001667849
P00491Purine nucleoside phosphorylase (PNP) (EC 2.4.2.1) (Inosine phosphorylase) (Inosine-guanosine phosphorylase)PNP/MTAP phosphorylase familyP004914860Homo sapiens (Human)0.0016094210
P08588Beta-1 adrenergic receptor (Beta-1 adrenoreceptor) (Beta-1 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB1 sub-subfamilyP08588153Homo sapiens (Human)0.0014976111
P13945Beta-3 adrenergic receptor (Beta-3 adrenoreceptor) (Beta-3 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB3 sub-subfamilyP13945155Homo sapiens (Human)0.0011015112
P28300Protein-lysine 6-oxidase (EC 1.4.3.13) (Lysyl oxidase) [Cleaved into: Protein-lysine 6-oxidase, ...Lysyl oxidase familyP283004015Homo sapiens (Human)0.00086208913
P31645Sodium-dependent serotonin transporter (SERT) (5HT transporter) (5HTT) (Solute carrier family ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A4 subfamilyP316456532Homo sapiens (Human)0.00083143414
Q01959Sodium-dependent dopamine transporter (DA transporter) (DAT) (Solute carrier family 6 ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A3 subfamilyQ019596531Homo sapiens (Human)0.0007900415
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)0.00077850516
P23975Sodium-dependent noradrenaline transporter (Norepinephrine transporter) (NET) (Solute carrier family 6 ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A2 subfamilyP239756530Homo sapiens (Human)0.00074537317
P15144Aminopeptidase N (AP-N) (hAPN) (EC 3.4.11.2) (Alanyl aminopeptidase) (Aminopeptidase M) ...Peptidase M1 familyP15144290Homo sapiens (Human)0.00073066818
O75496GemininGeminin familyO7549651053Homo sapiens (Human)0.00069456219
Q16706Alpha-mannosidase 2 (EC 3.2.1.114) (Golgi alpha-mannosidase II) (AMan II) (Man ...Glycosyl hydrolase 38 familyQ167064124Homo sapiens (Human)0.0006873720
P06737Glycogen phosphorylase, liver form (EC 2.4.1.1)Glycogen phosphorylase familyP067375836Homo sapiens (Human)0.00068468121
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)0.00065602322
P10828Thyroid hormone receptor beta (Nuclear receptor subfamily 1 group A ...Nuclear hormone receptor family, NR1 subfamilyP108287068Homo sapiens (Human)0.00065291323
Q9NUW8Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)Tyrosyl-DNA phosphodiesterase familyQ9NUW855775Homo sapiens (Human)0.0006479424
P02545Prelamin-A/C [Cleaved into: Lamin-A/C (70 kDa lamin) (Renal carcinoma antigen ...Intermediate filament familyP025454000Homo sapiens (Human)0.00057802625
P21728D(1A) dopamine receptor (Dopamine D1 receptor)G-protein coupled receptor 1 familyP217281812Homo sapiens (Human)0.00056141926
P04746Pancreatic alpha-amylase (PA) (EC 3.2.1.1) (1,4-alpha-D-glucan glucanohydrolase)Glycosyl hydrolase 13 familyP04746279Homo sapiens (Human)0.00053599727
P41180Extracellular calcium-sensing receptor (CaR) (CaSR) (hCasR) (Parathyroid cell calcium-sensing receptor ...G-protein coupled receptor 3 familyP41180846Homo sapiens (Human)0.00047723828
P09960Leukotriene A-4 hydrolase (LTA-4 hydrolase) (EC 3.3.2.6) (Leukotriene A(4) hydrolase) ...Peptidase M1 familyP099604048Homo sapiens (Human)0.00045759429
P27695DNA-(apurinic or apyrimidinic site) endonuclease (EC 3.1.11.2) (APEX nuclease) (APEN) ...DNA repair enzymes AP/ExoA familyP27695328Homo sapiens (Human)0.00045256230
P0DUB6Alpha-amylase 1A (EC 3.2.1.1) (1,4-alpha-D-glucan glucanohydrolase 1) (Salivary alpha-amylase)Glycosyl hydrolase 13 familyP0DUB6276Homo sapiens (Human)0.00045098631
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)0.00044664932
Q9NYA1Sphingosine kinase 1 (SK 1) (SPK 1) (EC 2.7.1.91) (Acetyltransferase ...Q9NYA18877Homo sapiens (Human)0.00043785133
P49798Regulator of G-protein signaling 4 (RGP4) (RGS4)P497985999Homo sapiens (Human)0.00038089134
P84022Mothers against decapentaplegic homolog 3 (MAD homolog 3) (Mad3) (Mothers ...Dwarfin/SMAD familyP840224088Homo sapiens (Human)0.00036676835
Q16637Survival motor neuron protein (Component of gems 1) (Gemin-1)SMN familyQ166376606Homo sapiens (Human)0.00031323536
P10635Cytochrome P450 2D6 (EC 1.14.14.-) (CYPIID6) (Cholesterol 25-hydroxylase) (Cytochrome P450-DB1) ...Cytochrome P450 familyP106351565Homo sapiens (Human)0.00030991837
Q04609Glutamate carboxypeptidase 2 (EC 3.4.17.21) (Cell growth-inhibiting gene 27 protein) ...Peptidase M28 family, M28B subfamilyQ046092346Homo sapiens (Human)0.00030211938
P283355-hydroxytryptamine receptor 2C (5-HT-2C) (5-HT2C) (5-HTR2C) (5-hydroxytryptamine receptor 1C) (5-HT-1C) ...G-protein coupled receptor 1 familyP283353358Homo sapiens (Human)0.00029997539
P282235-hydroxytryptamine receptor 2A (5-HT-2) (5-HT-2A) (Serotonin receptor 2A)G-protein coupled receptor 1 familyP282233356Homo sapiens (Human)0.00029656340
P415955-hydroxytryptamine receptor 2B (5-HT-2B) (5-HT2B) (Serotonin receptor 2B)G-protein coupled receptor 1 familyP415953357Homo sapiens (Human)0.00026908641
O15296Polyunsaturated fatty acid lipoxygenase ALOX15B (15-lipoxygenase 2) (15-LOX-2) (Arachidonate 15-lipoxygenase ...Lipoxygenase familyO15296247Homo sapiens (Human)0.0002685242
P27487Dipeptidyl peptidase 4 (EC 3.4.14.5) (ADABP) (Adenosine deaminase complexing protein ...Peptidase S9B family, DPPIV subfamilyP274871803Homo sapiens (Human)0.00026251443
P15289Arylsulfatase A (ASA) (EC 3.1.6.8) (Cerebroside-sulfatase) [Cleaved into: Arylsulfatase A ...Sulfatase familyP15289410Homo sapiens (Human)0.00026103444
P16473Thyrotropin receptor (Thyroid-stimulating hormone receptor) (TSH-R)G-protein coupled receptor 1 family, FSH/LSH/TSH subfamilyP164737253Homo sapiens (Human)0.00025965545
Q99720Sigma non-opioid intracellular receptor 1 (Aging-associated gene 8 protein) (SR31747-binding ...ERG2 familyQ9972010280Homo sapiens (Human)0.00025617546
P43220Glucagon-like peptide 1 receptor (GLP-1 receptor) (GLP-1-R) (GLP-1R)G-protein coupled receptor 2 familyP432202740Homo sapiens (Human)0.00025582847
P504065-hydroxytryptamine receptor 6 (5-HT-6) (5-HT6) (Serotonin receptor 6)G-protein coupled receptor 1 familyP504063362Homo sapiens (Human)0.00024748648
P14324Farnesyl pyrophosphate synthase (FPP synthase) (FPS) (EC 2.5.1.10) ((2E,6E)-farnesyl diphosphate ...FPP/GGPP synthase familyP143242224Homo sapiens (Human)0.00024421449
P54803Galactocerebrosidase (GALCERase) (EC 3.2.1.46) (Galactocerebroside beta-galactosidase) (Galactosylceramidase) (Galactosylceramide beta-galactosidase)Glycosyl hydrolase 59 familyP548032581Homo sapiens (Human)0.00023344750
P54132RecQ-like DNA helicase BLM (EC 3.6.4.12) (Bloom syndrome protein) (DNA ...Helicase family, RecQ subfamilyP54132641Homo sapiens (Human)0.00023187451
Q96RJ0Trace amine-associated receptor 1 (TaR-1) (Trace amine receptor 1)G-protein coupled receptor 1 familyQ96RJ0134864Homo sapiens (Human)0.00023185252
P11086Phenylethanolamine N-methyltransferase (PNMTase) (EC 2.1.1.28) (Noradrenaline N-methyltransferase)Class I-like SAM-binding methyltransferase superfamily, NNMT/PNMT/TEMT familyP110865409Homo sapiens (Human)0.00022863253
O60341Lysine-specific histone demethylase 1A (EC 1.14.99.66) (BRAF35-HDAC complex protein BHC110) ...Flavin monoamine oxidase familyO6034123028Homo sapiens (Human)0.00022510854
P11473Vitamin D3 receptor (VDR) (1,25-dihydroxyvitamin D3 receptor) (Nuclear receptor subfamily ...Nuclear hormone receptor family, NR1 subfamilyP114737421Homo sapiens (Human)0.00021929255
P25098Beta-adrenergic receptor kinase 1 (Beta-ARK-1) (EC 2.7.11.15) (G-protein coupled receptor ...Protein kinase superfamily, AGC Ser/Thr protein kinase family, GPRK subfamilyP25098156Homo sapiens (Human)0.00021840456
P29475Nitric oxide synthase, brain (EC 1.14.13.39) (Constitutive NOS) (NC-NOS) (NOS ...NOS familyP294754842Homo sapiens (Human)0.00020675157
P19838Nuclear factor NF-kappa-B p105 subunit (DNA-binding factor KBF1) (EBP-1) (Nuclear ...P198384790Homo sapiens (Human)0.00020166258
P16066Atrial natriuretic peptide receptor 1 (EC 4.6.1.2) (Atrial natriuretic peptide ...Adenylyl cyclase class-4/guanylyl cyclase familyP160664881Homo sapiens (Human)0.00019652359
Q96QE3ATPase family AAA domain-containing protein 5 (Chromosome fragility-associated gene 1 ...AAA ATPase familyQ96QE379915Homo sapiens (Human)0.00019553860
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)0.00019423661
Q9UHL4Dipeptidyl peptidase 2 (EC 3.4.14.2) (Dipeptidyl aminopeptidase II) (Dipeptidyl peptidase ...Peptidase S28 familyQ9UHL429952Homo sapiens (Human)0.00019376562
Q96RI1Bile acid receptor (Farnesoid X-activated receptor) (Farnesol receptor HRR-1) (Nuclear ...Nuclear hormone receptor family, NR1 subfamilyQ96RI19971Homo sapiens (Human)0.00019347863
P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyP411434985Homo sapiens (Human)0.00019325564
Q9UIF8Bromodomain adjacent to zinc finger domain protein 2B (hWALp4)WAL familyQ9UIF829994Homo sapiens (Human)0.00018886665
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyQ9Y5N111255Homo sapiens (Human)0.00018856666
P10636Microtubule-associated protein tau (Neurofibrillary tangle protein) (Paired helical filament-tau) (PHF-tau)P106364137Homo sapiens (Human)0.00018791867
P29274Adenosine receptor A2aG-protein coupled receptor 1 familyP29274135Homo sapiens (Human)0.0001868168
P05177Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...Cytochrome P450 familyP051771544Homo sapiens (Human)0.00018127269
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyP353724988Homo sapiens (Human)0.00018004770
Q14524Sodium channel protein type 5 subunit alpha (Sodium channel protein ...Sodium channel (TC 1.A.1.10) family, Nav1.5/SCN5A subfamilyQ145246331Homo sapiens (Human)0.00017627471
O75874Isocitrate dehydrogenase [NADP] cytoplasmic (IDH) (IDH1) (EC 1.1.1.42) (Cytosolic NADP-isocitrate ...Isocitrate and isopropylmalate dehydrogenases familyO758743417Homo sapiens (Human)0.00017613472
P0DMS8Adenosine receptor A3G-protein coupled receptor 1 familyP0DMS8140Homo sapiens (Human)0.00017534973
Q16665Hypoxia-inducible factor 1-alpha (HIF-1-alpha) (HIF1-alpha) (ARNT-interacting protein) (Basic-helix-loop-helix-PAS protein MOP1) ...Q166653091Homo sapiens (Human)0.00017492574
P00352Aldehyde dehydrogenase 1A1 (EC 1.2.1.19) (EC 1.2.1.28) (EC 1.2.1.3) (EC ...Aldehyde dehydrogenase familyP00352216Homo sapiens (Human)0.00017098375
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyP144161813Homo sapiens (Human)0.00016930476
P35462D(3) dopamine receptor (Dopamine D3 receptor)G-protein coupled receptor 1 familyP354621814Homo sapiens (Human)0.00016865477
Q13148TAR DNA-binding protein 43 (TDP-43)Q1314823435Homo sapiens (Human)0.0001668978
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyP411454986Homo sapiens (Human)0.00016688679
P08183ATP-dependent translocase ABCB1 (ATP-binding cassette sub-family B member 1) (Multidrug ...ABC transporter superfamily, ABCB family, Multidrug resistance exporter (TC 3.A.1.201) ...P081835243Homo sapiens (Human)0.00016579980
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyP033722099Homo sapiens (Human)0.00016441281
P29474Nitric oxide synthase, endothelial (EC 1.14.13.39) (Constitutive NOS) (cNOS) (EC-NOS) ...NOS familyP294744846Homo sapiens (Human)0.00016106982
Q16236Nuclear factor erythroid 2-related factor 2 (NF-E2-related factor 2) (NFE2-related ...BZIP family, CNC subfamilyQ162364780Homo sapiens (Human)0.00015977483
Q13324Corticotropin-releasing factor receptor 2 (CRF-R-2) (CRF-R2) (CRFR-2) (Corticotropin-releasing hormone receptor ...G-protein coupled receptor 2 familyQ133241395Homo sapiens (Human)0.00015600384
Q9UBL9P2X purinoceptor 2 (P2X2) (ATP receptor) (Purinergic receptor)P2X receptor familyQ9UBL922953Homo sapiens (Human)0.00015531985
P51449Nuclear receptor ROR-gamma (Nuclear receptor RZR-gamma) (Nuclear receptor subfamily 1 ...Nuclear hormone receptor family, NR1 subfamilyP514496097Homo sapiens (Human)0.00015463686
P14902Indoleamine 2,3-dioxygenase 1 (IDO-1) (EC 1.13.11.52) (Indoleamine-pyrrole 2,3-dioxygenase)Indoleamine 2,3-dioxygenase familyP149023620Homo sapiens (Human)0.00015183387
O60755Galanin receptor type 3 (GAL3-R) (GALR-3)G-protein coupled receptor 1 familyO607558484Homo sapiens (Human)0.00015174488
P41146Nociceptin receptor (Kappa-type 3 opioid receptor) (KOR-3) (Orphanin FQ receptor)G-protein coupled receptor 1 familyP411464987Homo sapiens (Human)0.00014986789
P39748Flap endonuclease 1 (FEN-1) (EC 3.1.-.-) (DNase IV) (Flap structure-specific ...XPG/RAD2 endonuclease family, FEN1 subfamilyP397482237Homo sapiens (Human)0.0001491990
P37268Squalene synthase (SQS) (SS) (EC 2.5.1.21) (FPP:FPP farnesyltransferase) (Farnesyl-diphosphate farnesyltransferase) ...Phytoene/squalene synthase familyP372682222Homo sapiens (Human)0.00014878791
O94782Ubiquitin carboxyl-terminal hydrolase 1 (EC 3.4.19.12) (Deubiquitinating enzyme 1) (hUBP) ...Peptidase C19 familyO947827398Homo sapiens (Human)0.0001486192
P282225-hydroxytryptamine receptor 1B (5-HT-1B) (5-HT1B) (S12) (Serotonin 1D beta receptor) ...G-protein coupled receptor 1 familyP282223351Homo sapiens (Human)0.00014810693
P30542Adenosine receptor A1G-protein coupled receptor 1 familyP30542134Homo sapiens (Human)0.00014721294
P22314Ubiquitin-like modifier-activating enzyme 1 (EC 6.2.1.45) (Protein A1S9) (Ubiquitin-activating enzyme ...Ubiquitin-activating E1 familyP223147317Homo sapiens (Human)0.00014439395
P51965Ubiquitin-conjugating enzyme E2 E1 (EC 2.3.2.23) ((E3-independent) E2 ubiquitin-conjugating enzyme ...Ubiquitin-conjugating enzyme familyP519657324Homo sapiens (Human)0.00014439396
Q9UBT2SUMO-activating enzyme subunit 2 (EC 2.3.2.-) (Anthracycline-associated resistance ARX) (Ubiquitin-like ...Ubiquitin-activating E1 familyQ9UBT210054Homo sapiens (Human)0.00014439397
P10275Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...Nuclear hormone receptor family, NR3 subfamilyP10275367Homo sapiens (Human)0.0001436498
P12821Angiotensin-converting enzyme (ACE) (EC 3.4.15.1) (Dipeptidyl carboxypeptidase I) (Kininase II) ...Peptidase M2 familyP128211636Homo sapiens (Human)0.0001420899
P30968Gonadotropin-releasing hormone receptor (GnRH receptor) (GnRH-R)G-protein coupled receptor 1 familyP309682798Homo sapiens (Human)0.000142004100

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
203352026-01-21
16:57:17		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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