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CompoundTarget IDProtein namesProtein familiesGene symbolsGene IDOrganismScoreRank

[1] Untitled

Original SMILES:
[C@@H]1([C@@H](C[C@@H]([C@H]([C@@H]1O)O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CN)N)NC(=O)[C@H](CCN)O)O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)N)O)CO

Prepared SMILES:
NCC[C@@H](C(=O)N[C@@H]1C[C@H](N)[C@H]([C@@H]([C@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)N)O)O)O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1O)O)O)O

P29033Gap junction beta-2 protein (Connexin-26) (Cx26)Connexin family, Beta-type (group I) subfamilyP290332706Homo sapiens (Human)0.003538551
P43351DNA repair protein RAD52 homologRAD52 familyP433515893Homo sapiens (Human)0.001645862
Q16706Alpha-mannosidase 2 (EC 3.2.1.114) (Golgi alpha-mannosidase II) (AMan II) (Man ...Glycosyl hydrolase 38 familyQ167064124Homo sapiens (Human)0.000999323
Q9NUW8Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)Tyrosyl-DNA phosphodiesterase familyQ9NUW855775Homo sapiens (Human)0.0008404824
O75496GemininGeminin familyO7549651053Homo sapiens (Human)0.0007010545
P02545Prelamin-A/C [Cleaved into: Lamin-A/C (70 kDa lamin) (Renal carcinoma antigen ...Intermediate filament familyP025454000Homo sapiens (Human)0.0006982446
P31645Sodium-dependent serotonin transporter (SERT) (5HT transporter) (5HTT) (Solute carrier family ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A4 subfamilyP316456532Homo sapiens (Human)0.0005455677
P31639Sodium/glucose cotransporter 2 (Na(+)/glucose cotransporter 2) (Low affinity sodium-glucose cotransporter) ...Sodium:solute symporter (SSF) (TC 2.A.21) familyP316396524Homo sapiens (Human)0.0005261858
P23975Sodium-dependent noradrenaline transporter (Norepinephrine transporter) (NET) (Solute carrier family 6 ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A2 subfamilyP239756530Homo sapiens (Human)0.0005211179
Q01959Sodium-dependent dopamine transporter (DA transporter) (DAT) (Solute carrier family 6 ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A3 subfamilyQ019596531Homo sapiens (Human)0.00050219810
Q15391P2Y purinoceptor 14 (P2Y14) (G-protein coupled receptor 105) (UDP-glucose receptor)G-protein coupled receptor 1 familyQ153919934Homo sapiens (Human)0.00048392111
Q14573Inositol 1,4,5-trisphosphate receptor type 3 (IP3 receptor isoform 3) (IP3R ...InsP3 receptor familyQ145733710Homo sapiens (Human)0.00045616612
Q14642Inositol polyphosphate-5-phosphatase A (EC 3.1.3.56) (43 kDa inositol polyphosphate 5-phosphatase) ...Inositol 1,4,5-trisphosphate 5-phosphatase type I familyQ146423632Homo sapiens (Human)0.0004345813
P13866Sodium/glucose cotransporter 1 (Na(+)/glucose cotransporter 1) (High affinity sodium-glucose cotransporter) ...Sodium:solute symporter (SSF) (TC 2.A.21) familyP138666523Homo sapiens (Human)0.00040337414
Q9HC29Nucleotide-binding oligomerization domain-containing protein 2 (Caspase recruitment domain-containing protein 15) ...Q9HC2964127Homo sapiens (Human)0.00037228815
P08473Neprilysin (EC 3.4.24.11) (Atriopeptidase) (Common acute lymphocytic leukemia antigen) (CALLA) ...Peptidase M13 familyP084734311Homo sapiens (Human)0.00035280816
Q9Y3R4Sialidase-2 (EC 3.2.1.18) (Cytosolic sialidase) (N-acetyl-alpha-neuraminidase 2)Glycosyl hydrolase 33 familyQ9Y3R44759Homo sapiens (Human)0.00033576817
P04746Pancreatic alpha-amylase (PA) (EC 3.2.1.1) (1,4-alpha-D-glucan glucanohydrolase)Glycosyl hydrolase 13 familyP04746279Homo sapiens (Human)0.00033543518
P27695DNA-(apurinic or apyrimidinic site) endonuclease (EC 3.1.11.2) (APEX nuclease) (APEN) ...DNA repair enzymes AP/ExoA familyP27695328Homo sapiens (Human)0.00032526219
Q8NER1Transient receptor potential cation channel subfamily V member 1 (TrpV1) ...Transient receptor (TC 1.A.4) family, TrpV subfamily, TRPV1 sub-subfamilyQ8NER17442Homo sapiens (Human)0.00031928620
O75874Isocitrate dehydrogenase [NADP] cytoplasmic (IDH) (IDH1) (EC 1.1.1.42) (Cytosolic NADP-isocitrate ...Isocitrate and isopropylmalate dehydrogenases familyO758743417Homo sapiens (Human)0.00031337421
Q92769Histone deacetylase 2 (HD2) (EC 3.5.1.98) (Protein deacylase HDAC2) (EC ...Histone deacetylase family, HD type 1 subfamilyQ927693066Homo sapiens (Human)0.00031299422
P53350Serine/threonine-protein kinase PLK1 (EC 2.7.11.21) (Polo-like kinase 1) (PLK-1) (Serine/threonine-protein ...Protein kinase superfamily, Ser/Thr protein kinase family, CDC5/Polo subfamilyP533505347Homo sapiens (Human)0.00030925123
P12821Angiotensin-converting enzyme (ACE) (EC 3.4.15.1) (Dipeptidyl carboxypeptidase I) (Kininase II) ...Peptidase M2 familyP128211636Homo sapiens (Human)0.00030520724
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)0.00029736125
P0DUB6Alpha-amylase 1A (EC 3.2.1.1) (1,4-alpha-D-glucan glucanohydrolase 1) (Salivary alpha-amylase)Glycosyl hydrolase 13 familyP0DUB6276Homo sapiens (Human)0.00028210326
Q9UQ49Sialidase-3 (EC 3.2.1.18) (Ganglioside sialidasedis) (Membrane sialidase) (N-acetyl-alpha-neuraminidase 3)Glycosyl hydrolase 33 familyQ9UQ4910825Homo sapiens (Human)0.00027727127
P49798Regulator of G-protein signaling 4 (RGP4) (RGS4)P497985999Homo sapiens (Human)0.00027685428
Q9ULA0Aspartyl aminopeptidase (EC 3.4.11.21)Peptidase M18 familyQ9ULA023549Homo sapiens (Human)0.00027605829
P84022Mothers against decapentaplegic homolog 3 (MAD homolog 3) (Mad3) (Mothers ...Dwarfin/SMAD familyP840224088Homo sapiens (Human)0.00026963530
Q9NY91Solute carrier family 5 member 4Sodium:solute symporter (SSF) (TC 2.A.21) familyQ9NY916527Homo sapiens (Human)0.00026686631
O00206Toll-like receptor 4 (hToll) (CD antigen CD284)Toll-like receptor familyO002067099Homo sapiens (Human)0.00025428232
Q16236Nuclear factor erythroid 2-related factor 2 (NF-E2-related factor 2) (NFE2-related ...BZIP family, CNC subfamilyQ162364780Homo sapiens (Human)0.00025345733
Q9HAS3Solute carrier family 28 member 3 (Concentrative Na(+)-nucleoside cotransporter 3) ...Concentrative nucleoside transporter (CNT) (TC 2.A.41) familyQ9HAS364078Homo sapiens (Human)0.00025208434
Q96QE3ATPase family AAA domain-containing protein 5 (Chromosome fragility-associated gene 1 ...AAA ATPase familyQ96QE379915Homo sapiens (Human)0.00025130535
P48145Neuropeptides B/W receptor type 1 (G-protein coupled receptor 7)G-protein coupled receptor 1 familyP481452831Homo sapiens (Human)0.00024745436
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)0.00024692737
P34913Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ...AB hydrolase superfamily, Epoxide hydrolase familyP349132053Homo sapiens (Human)0.0002466938
P29475Nitric oxide synthase, brain (EC 1.14.13.39) (Constitutive NOS) (NC-NOS) (NOS ...NOS familyP294754842Homo sapiens (Human)0.00023961539
P29474Nitric oxide synthase, endothelial (EC 1.14.13.39) (Constitutive NOS) (cNOS) (EC-NOS) ...NOS familyP294744846Homo sapiens (Human)0.00023732640
P55263Adenosine kinase (AK) (EC 2.7.1.20) (Adenosine 5'-phosphotransferase)Carbohydrate kinase PfkB familyP55263132Homo sapiens (Human)0.0002297541
Q8WWR8Sialidase-4 (EC 3.2.1.18) (N-acetyl-alpha-neuraminidase 4)Glycosyl hydrolase 33 familyQ8WWR8129807Homo sapiens (Human)0.00022890842
P03956Interstitial collagenase (EC 3.4.24.7) (Fibroblast collagenase) (Matrix metalloproteinase-1) (MMP-1) [Cleaved ...Peptidase M10A familyP039564312Homo sapiens (Human)0.00022634143
P54803Galactocerebrosidase (GALCERase) (EC 3.2.1.46) (Galactocerebroside beta-galactosidase) (Galactosylceramidase) (Galactosylceramide beta-galactosidase)Glycosyl hydrolase 59 familyP548032581Homo sapiens (Human)0.00022426244
Q136395-hydroxytryptamine receptor 4 (5-HT-4) (5-HT4) (Serotonin receptor 4)G-protein coupled receptor 1 familyQ136393360Homo sapiens (Human)0.0002224245
P0DMS8Adenosine receptor A3G-protein coupled receptor 1 familyP0DMS8140Homo sapiens (Human)0.00022235646
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)0.0002153147
P35610Sterol O-acyltransferase 1 (EC 2.3.1.26) (Acyl-coenzyme A:cholesterol acyltransferase 1) (ACAT-1) ...Membrane-bound acyltransferase family, Sterol o-acyltransferase subfamilyP356106646Homo sapiens (Human)0.00021438448
P07237Protein disulfide-isomerase (PDI) (EC 5.3.4.1) (Cellular thyroid hormone-binding protein) (Prolyl ...Protein disulfide isomerase familyP072375034Homo sapiens (Human)0.00021256449
P10253Lysosomal alpha-glucosidase (EC 3.2.1.20) (Acid maltase) (Aglucosidase alfa) [Cleaved into: ...Glycosyl hydrolase 31 familyP102532548Homo sapiens (Human)0.00021151950

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
191652025-11-17
16:09:37		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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