Quercitrin

Quercitrin

SCHEMBL7920286

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(-c2ccccc2)oc2ccccc12

nearest known ligand 0.80

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 6/20 0.80
KDM4E B2RXH2 6/20 0.80
L3MBTL1 Q9Y468 4/20 0.80
MAOA P21397 3/20 0.80
EPHX2 P34913 3/20 0.80
XDH P47989 3/20 0.80
SLCO2B1 O94956 3/20 0.80
ALDH1A1 P00352 3/20 0.80
AKR1B1 P15121 2/20 0.80
PIM2 Q9P1W9 2/20 0.80
CA12 O43570 1/20 0.80
CA2 P00918 1/20 0.80
CA4 P22748 1/20 0.80
CA7 P43166 1/20 0.80
NQO2 P16083 1/20 0.71
MAPT P10636 5/20 0.69
POLB P06746 4/20 0.69
GAA P10253 4/20 0.69
KDM1A O60341 1/20 0.69
PRSS1 P07477 1/20 0.69

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
Myricitrin SCHEMBL7926047 0.94 P4HB (0.79) P4HBKDM4EL3MBTL1MAOAEPHX2
Rutin SCHEMBL725793 0.93 KDM4E (0.82) P4HBKDM4EL3MBTL1MAOAEPHX2
Quercitrin SCHEMBL15321878 0.91 P4HB (0.93) P4HBKDM4EL3MBTL1MAOAEPHX2
Quercitrin SCHEMBL6849807 0.89 P4HB (1.00) P4HBKDM4EL3MBTL1MAOAEPHX2
Quercitrin SCHEMBL1697151 0.89 P4HB (1.00) P4HBKDM4EL3MBTL1MAOAEPHX2
Quercitrin SCHEMBL5456136 0.89 P4HB (1.00) P4HBKDM4EL3MBTL1MAOAEPHX2
Quercitrin SCHEMBL811472 0.89 P4HB (1.00) P4HBKDM4EL3MBTL1MAOAEPHX2
Quercitrin SCHEMBL3206092 0.89 P4HB (1.00) P4HBKDM4EL3MBTL1MAOAEPHX2
Quercitrin SCHEMBL17628907 0.89 P4HB (1.00) P4HBKDM4EL3MBTL1MAOAEPHX2
Quercitrin SCHEMBL15337986 0.89 P4HB (1.00) P4HBKDM4EL3MBTL1MAOAEPHX2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100539-A2 COMBINATION OF ACTIVE SUBSTANCES, ESPECIALLY FOR THE PROPHYLAXIS AND THERAPY OF ISCHAEMIC ORGANIC LESIONS AND REPERFUSION SYNDROMES Vascular Biotech GmbH (DE) 2001-05-23 EP disclosed
WO-2000007578-A2 COMBINATION OF ACTIVE SUBSTANCES, ESPECIALLY FOR THE PROPHYLAXIS AND THERAPY OF ISCHAEMIC ORGANIC LESIONS AND REPERFUSION SYNDROMES VASCULAR BIOTECH GMBH (DE) 2000-02-17 WO disclosed