Sugi Predict

Sugi Predict / Compounds / Rutin

Rutin

Rutin

SCHEMBL22326122

C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O.O=c1c(O[C@@H]2O[C@H]([C@H](O)CO)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12

nearest known ligand 0.85

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.85
▸ XDH P47989 4/20 0.85
▸ MAOA P21397 3/20 0.85
▸ EPHX2 P34913 3/20 0.85
▸ MAPT P10636 2/20 0.85
▸ HES1 Q14469 2/20 0.85
▸ FANCF Q9NPI8 2/20 0.85
▸ POLB P06746 2/20 0.85
▸ GAA P10253 2/20 0.85
▸ KDM1A O60341 1/20 0.85
▸ PRSS1 P07477 1/20 0.85
▸ PRSS2 P07478 1/20 0.85
▸ ADRA2A P08913 1/20 0.85
▸ HMGB1 P09429 1/20 0.85
▸ CFTR P13569 1/20 0.85
▸ ADRA2C P18825 1/20 0.85
▸ ACHE P22303 1/20 0.85
▸ MAPK1 P28482 1/20 0.85
▸ PRSS3 P35030 1/20 0.85
▸ BACE1 P56817 1/20 0.85

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Quercitrin SCHEMBL17628743 0.94 P4HB (0.81) KDM4EXDHMAOAEPHX2MAPT
Rutin SCHEMBL13696608 0.92 KDM4E (1.00) KDM4EXDHMAOAEPHX2MAPT
Rutin SCHEMBL21013017 0.92 KDM4E (1.00) KDM4EXDHMAOAEPHX2MAPT
Rutin SCHEMBL13696392 0.92 KDM4E (1.00) KDM4EXDHMAOAEPHX2MAPT
Rutin SCHEMBL20576343 0.92 KDM4E (1.00) KDM4EXDHMAOAEPHX2MAPT
Rutin SCHEMBL23663918 0.92 KDM4E (1.00) KDM4EXDHMAOAEPHX2MAPT
Rutin SCHEMBL21325433 0.92 KDM4E (1.00) KDM4EXDHMAOAEPHX2MAPT
Rutin SCHEMBL21699244 0.92 KDM4E (1.00) KDM4EXDHMAOAEPHX2MAPT
Rutin SCHEMBL21424757 0.92 KDM4E (1.00) KDM4EXDHMAOAEPHX2MAPT
Rutin SCHEMBL802819 0.92 KDM4E (1.00) KDM4EXDHMAOAEPHX2MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020162532-A1 COMPOSITION FOR ENHANCING VASCULAR ENDOTHELIAL FUNCTION 三栄源エフ・エフ・アイ株式会社 2020-08-13 — — WO disclosed