Quercetin

Quercetin

SCHEMBL3678259

C[N+](C)(C)CC(=O)O.O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12.[Cl-]

nearest known ligand 0.72

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

BHMTBHMT2

The experimentally established mechanism targets of Quercetin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.72
KMT2A Q03164 9/20 0.72
CYP1A2 P05177 8/20 0.72
CYP1A1 P04798 7/20 0.72
CYP1B1 Q16678 7/20 0.72
CYP3A4 P08684 6/20 0.72
KDM4E B2RXH2 6/20 0.72
HSD17B10 Q99714 6/20 0.72
POLH Q9Y253 6/20 0.72
MAPT P10636 6/20 0.72
ABCB1 P08183 6/20 0.72
RECQL P46063 5/20 0.72
CYP2C9 P11712 5/20 0.72
IPMK Q8NFU5 5/20 0.72
IP6K2 Q9UHH9 5/20 0.72
XDH P47989 5/20 0.72
FTO Q9C0B1 5/20 0.72
ALOX15 P16050 4/20 0.72
HIF1A Q16665 4/20 0.72
POLB P06746 4/20 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
Quercetin SCHEMBL7180221 0.88 MEN1 (0.81) MEN1KMT2ACYP1A2CYP1A1CYP1B1
Quercetin SCHEMBL28881042 0.87 MEN1 (0.83) MEN1KMT2ACYP1A2CYP1A1CYP1B1
Quercetin SCHEMBL5126185 0.86 MEN1 (0.87) MEN1KMT2ACYP1A2CYP1A1CYP1B1
Quercetin SCHEMBL7186872 0.86 MEN1 (0.87) MEN1KMT2ACYP1A2CYP1A1CYP1B1
Quercetin SCHEMBL30016580 0.86 MEN1 (0.97) MEN1KMT2ACYP1A2CYP1A1CYP1B1
Quercetin SCHEMBL28322013 0.85 MEN1 (0.81) MEN1KMT2ACYP1A2CYP1A1CYP1B1
Quercetin SCHEMBL27746111 0.85 MEN1 (0.94) MEN1KMT2ACYP1A2CYP1A1CYP1B1
Quercetin SCHEMBL28833007 0.85 MEN1 (0.94) MEN1KMT2ACYP1A2CYP1A1CYP1B1
Quercetin SCHEMBL31507620 0.85 MEN1 (1.00) MEN1KMT2ACYP1A2CYP1A1CYP1B1
Quercetin SCHEMBL118425 0.85 MEN1 (1.00) MEN1KMT2ACYP1A2CYP1A1CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7658957-B2 Anti-arthritic herbal composition and method thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-02-09 US disclosed
US-7618663-B2 Anti-arthritic herbal composition and method thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2009-11-17 US disclosed
US-20080118587-A1 ANTI-ARTHRITIC HERBAL COMPOSITION AND METHOD THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (CSIR) (IN) 2008-05-22 US disclosed
US-20080118588-A1 ANTI-ARTHRITIC HERBAL COMPOSITION AND METHOD THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2008-05-22 US disclosed
US-7338674-B2 Anti-arthritic herbal composition and method thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2008-03-04 US disclosed
US-20060141061-A1 Anti-arthritic herbal composition and method thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2006-06-29 US disclosed
WO-2006061675-A1 ANTI-ARTHRITIC HERBAL COMPOSITION AND METHOD OF PRODUCTION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2006-06-15 WO disclosed