Job ID(s):

Results

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CompoundPathway IDDescriptionScoreRank

[1] Untitled

Original SMILES:
C(CC(C(CCC(CCl)Cl)Cl)Cl)C(CCl)Cl

Prepared SMILES:
ClCC(CCC(C(CCC(CCl)Cl)Cl)Cl)Cl

hsa04610Complement and coagulation cascades0.0006064081
hsa04510Focal adhesion0.0005327012
hsa00100Steroid biosynthesis0.0005082943
hsa03320PPAR signaling pathway0.0004675564
hsa04915Estrogen signaling pathway0.0004417565
hsa04974Protein digestion and absorption0.0004407446
hsa04151PI3K-Akt signaling pathway0.0004393357
hsa04978Mineral absorption0.0004374618
hsa04640Hematopoietic cell lineage0.0004281269
hsa04612Antigen processing and presentation0.0003922310
hsa04216Ferroptosis0.00032867811
hsa04115p53 signaling pathway0.00032013912
hsa04657IL-17 signaling pathway0.00030350513
hsa04924Renin secretion0.00029877814
hsa04010MAPK signaling pathway0.00028626815
hsa04062Chemokine signaling pathway0.00026551816
hsa04015Rap1 signaling pathway0.00025485617
hsa04964Proximal tubule bicarbonate reclamation0.00025115418
hsa04218Cellular senescence0.00025058219
hsa04066HIF-1 signaling pathway0.00024773420
hsa00380Tryptophan metabolism0.00024680121
hsa00340Histidine metabolism0.00024652322
hsa04913Ovarian steroidogenesis0.00024569623
hsa04068FoxO signaling pathway0.00024444624
hsa04520Adherens junction0.00024352425
hsa04670Leukocyte transendothelial migration0.0002424426
hsa04668TNF signaling pathway0.00024035527
hsa04918Thyroid hormone synthesis0.00023675628
hsa00480Glutathione metabolism0.00023290129
hsa00980Metabolism of xenobiotics by cytochrome P4500.00023256530
hsa04972Pancreatic secretion0.00022922631
hsa00910Nitrogen metabolism0.00022818232
hsa04961Endocrine and other factor-regulated calcium reabsorption0.00022782533
hsa04923Regulation of lipolysis in adipocytes0.00022671234
hsa04970Salivary secretion0.0002217635
hsa04210Apoptosis0.00022040736
hsa04672Intestinal immune network for IgA production0.00021728137
hsa00010Glycolysis / Gluconeogenesis0.00021689638
hsa00900Terpenoid backbone biosynthesis0.00021581539
hsa04960Aldosterone-regulated sodium reabsorption0.00021364540
hsa00250Alanine, aspartate and glutamate metabolism0.00021330241
hsa04350TGF-beta signaling pathway0.00020768842
hsa04926Relaxin signaling pathway0.00020564343
hsa04310Wnt signaling pathway0.00020490844
hsa04971Gastric acid secretion0.00020465645
hsa04110Cell cycle0.00019596346
hsa04979Cholesterol metabolism0.00019491547
hsa00350Tyrosine metabolism0.00019475748
hsa00051Fructose and mannose metabolism0.0001940649
hsa01040Biosynthesis of unsaturated fatty acids0.0001880550

[2] Untitled

Original SMILES:
CCC(C(C(CC(C(C(C)Cl)Cl)Cl)Cl)Cl)Cl

Prepared SMILES:
CCC(C(C(CC(C(C(Cl)C)Cl)Cl)Cl)Cl)Cl

hsa04610Complement and coagulation cascades0.0006349971
hsa04510Focal adhesion0.0005420772
hsa00100Steroid biosynthesis0.000491873
hsa03320PPAR signaling pathway0.000470374
hsa04978Mineral absorption0.00046525
hsa04915Estrogen signaling pathway0.0004548286
hsa04151PI3K-Akt signaling pathway0.0004483567
hsa04974Protein digestion and absorption0.0004482928
hsa04640Hematopoietic cell lineage0.0004281299
hsa04612Antigen processing and presentation0.00039853610
hsa04216Ferroptosis0.0003657711
hsa04115p53 signaling pathway0.00032033612
hsa04657IL-17 signaling pathway0.00031427113
hsa04924Renin secretion0.00030281814
hsa04010MAPK signaling pathway0.0002916315
hsa04062Chemokine signaling pathway0.00026845716
hsa04218Cellular senescence0.00026166417
hsa04670Leukocyte transendothelial migration0.00025836118
hsa00340Histidine metabolism0.00025825319
hsa04015Rap1 signaling pathway0.00025644520
hsa04913Ovarian steroidogenesis0.00025601421
hsa04066HIF-1 signaling pathway0.00025599622
hsa04964Proximal tubule bicarbonate reclamation0.00025489923
hsa00910Nitrogen metabolism0.00025289924
hsa04068FoxO signaling pathway0.00025012125
hsa00250Alanine, aspartate and glutamate metabolism0.00024869226
hsa04520Adherens junction0.00024824427
hsa04918Thyroid hormone synthesis0.00024651928
hsa04668TNF signaling pathway0.00024326429
hsa04672Intestinal immune network for IgA production0.00023898630
hsa00480Glutathione metabolism0.00023750431
hsa04961Endocrine and other factor-regulated calcium reabsorption0.00023730632
hsa00380Tryptophan metabolism0.00023632333
hsa00010Glycolysis / Gluconeogenesis0.00023435734
hsa04972Pancreatic secretion0.00023171635
hsa04923Regulation of lipolysis in adipocytes0.0002250236
hsa04960Aldosterone-regulated sodium reabsorption0.00022460437
hsa00980Metabolism of xenobiotics by cytochrome P4500.00022200638
hsa04970Salivary secretion0.00022090839
hsa04210Apoptosis0.00021623240
hsa04926Relaxin signaling pathway0.00021302741
hsa00900Terpenoid backbone biosynthesis0.00021277542
hsa01040Biosynthesis of unsaturated fatty acids0.0002122943
hsa04971Gastric acid secretion0.00020694844
hsa04310Wnt signaling pathway0.00020600445
hsa00330Arginine and proline metabolism0.00020538146
hsa04110Cell cycle0.00020228847
hsa04350TGF-beta signaling pathway0.00020209248
hsa04540Gap junction0.00019023349
hsa00051Fructose and mannose metabolism0.0001899150

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
193382025-11-19
16:04:01
PathwaysDPNetInferDrug-pathway association network for pan-cancer (version 2020)MACCS Downloadα = 0.1, β = 0.1, γ = -0.9, k = 2, Top 50Download

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