Job ID(s):

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CompoundPathway IDDescriptionScoreRank

[1] Untitled

Original SMILES:
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC

Prepared SMILES:
COc1c(OC)ccc2c1c[n+]1CCc3c(c1c2)cc1c(c3)OCO1

hsa04610Complement and coagulation cascades0.0006137561
hsa04510Focal adhesion0.0005201662
hsa03320PPAR signaling pathway0.000477993
hsa00100Steroid biosynthesis0.0004565144
hsa04915Estrogen signaling pathway0.0004477575
hsa04151PI3K-Akt signaling pathway0.000439526
hsa04974Protein digestion and absorption0.0004378627
hsa04978Mineral absorption0.0004284738
hsa04640Hematopoietic cell lineage0.000416889
hsa04612Antigen processing and presentation0.00035764210
hsa04216Ferroptosis0.00034972511
hsa04115p53 signaling pathway0.00031300912
hsa04657IL-17 signaling pathway0.000305413
hsa04924Renin secretion0.00029896714
hsa04010MAPK signaling pathway0.00028504215
hsa04062Chemokine signaling pathway0.00026373716
hsa04015Rap1 signaling pathway0.00026256617
hsa04670Leukocyte transendothelial migration0.00025588518
hsa04964Proximal tubule bicarbonate reclamation0.00025405319
hsa04066HIF-1 signaling pathway0.00025124220
hsa04218Cellular senescence0.00024633721
hsa04961Endocrine and other factor-regulated calcium reabsorption0.00024429622
hsa04068FoxO signaling pathway0.00023998323
hsa04520Adherens junction0.00023689324
hsa04918Thyroid hormone synthesis0.00023617825
hsa04668TNF signaling pathway0.00023553926
hsa00380Tryptophan metabolism0.00023417927
hsa00980Metabolism of xenobiotics by cytochrome P4500.00023315328
hsa04923Regulation of lipolysis in adipocytes0.00023185129
hsa04972Pancreatic secretion0.00022940530
hsa04960Aldosterone-regulated sodium reabsorption0.00022679731
hsa00010Glycolysis / Gluconeogenesis0.00022649732
hsa00480Glutathione metabolism0.00022602633
hsa04913Ovarian steroidogenesis0.00022386234
hsa00340Histidine metabolism0.0002193735
hsa04970Salivary secretion0.0002170636
hsa04979Cholesterol metabolism0.00021680837
hsa04210Apoptosis0.00021305738
hsa04310Wnt signaling pathway0.00021303939
hsa04926Relaxin signaling pathway0.00020815440
hsa04350TGF-beta signaling pathway0.00020528641
hsa00910Nitrogen metabolism0.00020524942
hsa04971Gastric acid secretion0.00020441743
hsa00250Alanine, aspartate and glutamate metabolism0.00020195344
hsa04110Cell cycle0.00019946145
hsa00051Fructose and mannose metabolism0.00019695346
hsa04540Gap junction0.00019456547
hsa00900Terpenoid backbone biosynthesis0.00019305648
hsa00140Steroid hormone biosynthesis0.00019107549
hsa04614Renin-angiotensin system0.00018759550

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)
16642021-07-23
08:48:57
PathwaysDPNetInferDrug-pathway association network for pan-cancer (version 2020)MACCSα = 0.1, β = 0.1, γ = -0.9, k = 2, Top 50

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