Quercitrin

Quercitrin

SCHEMBL17628743

C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[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 0.81

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P4HB P07237 7/20 0.81
▸ KDM4E B2RXH2 7/20 0.81
▸ EPHX2 P34913 5/20 0.81
▸ MAOA P21397 4/20 0.81
▸ XDH P47989 4/20 0.81
▸ AKR1B1 P15121 4/20 0.81
▸ L3MBTL1 Q9Y468 3/20 0.81
▸ SLCO2B1 O94956 3/20 0.81
▸ PIM2 Q9P1W9 2/20 0.81
▸ CA12 O43570 2/20 0.81
▸ CA2 P00918 2/20 0.81
▸ CA4 P22748 2/20 0.81
▸ CA7 P43166 2/20 0.81
▸ ALDH1A1 P00352 1/20 0.81
▸ MAPT P10636 4/20 0.72
▸ GAA P10253 4/20 0.72
▸ POLB P06746 3/20 0.72
▸ KDM1A O60341 2/20 0.72
▸ HMGB1 P09429 2/20 0.72
▸ ADRA2C P18825 2/20 0.72

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
SCHEMBL24608 0.94 AKR1B1 (0.74) P4HBKDM4EEPHX2MAOAXDH
SCHEMBL21408655 0.94 AKR1B1 (0.74) P4HBKDM4EEPHX2MAOAXDH
SCHEMBL30772268 0.94 AKR1B1 (0.74) P4HBKDM4EEPHX2MAOAXDH
Rutin SCHEMBL22326122 0.94 KDM4E (0.85) P4HBKDM4EEPHX2MAOAXDH
Water SCHEMBL21836718 0.94 AKR1B1 (0.73) P4HBKDM4EEPHX2MAOAXDH
Acetone SCHEMBL11411008 0.93 AKR1B1 (0.70) P4HBKDM4EEPHX2MAOAXDH
Quercetin SCHEMBL5953872 0.91 AKR1B1 (0.70) P4HBKDM4EEPHX2MAOAXDH
SCHEMBL25414144 0.90 P4HB (0.83) P4HBKDM4EEPHX2MAOAXDH
Quercitrin SCHEMBL4227921 0.90 P4HB (1.00) P4HBKDM4EEPHX2MAOAXDH
Quercitrin SCHEMBL5456136 0.90 P4HB (1.00) P4HBKDM4EEPHX2MAOAXDH

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
US-20160090578-A1 ENZYMES CATALYZING THE GLYCOSYLATION OF POLYPHENOLS UNIVERSITAET HAMBURG (DE) 2016-03-31 — — US disclosed
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