Isoquercetin

SCHEMBL6072574

COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O)cc(O)c1O.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O.O=c1c(OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12.[Cl-]

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHE BDKRB2 CHRM1 CHRM2 CHRM3 CHRNA1 CHRNB1 CHRND CHRNE CHRNG GUCY1A1 GUCY1A2 GUCY1B1 GUCY1B2 NAMPT PTAFR SLC10A2 SLC6A2 SLC6A3 TACR1 dacA dacB dacC ftsI mrcA mrcB mrdA

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

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	ACHE known ✓	P22303	1/20	0.50

▸	EPHX2	P34913	5/20	0.59

▸	MEN1	O00255	1/20	0.57

▸	KMT2A	Q03164	1/20	0.57

▸	MMP9	P14780	1/20	0.57

▸	P4HB	P07237	6/20	0.57

▸	KDM4E	B2RXH2	4/20	0.57

▸	GAA	P10253	4/20	0.57

▸	AKR1B1	P15121	4/20	0.57

▸	POLB	P06746	3/20	0.57

▸	MAPT	P10636	3/20	0.57

▸	CA12	O43570	2/20	0.57

▸	CA2	P00918	2/20	0.57

▸	CA4	P22748	2/20	0.57

▸	CA7	P43166	2/20	0.57

▸	ALPL	P05186	2/20	0.57

▸	ALPI	P09923	2/20	0.57

▸	ADRA2C	P18825	1/20	0.57

▸	NOX4	Q9NPH5	1/20	0.57

▸	KDM1A	O60341	1/20	0.57

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.

Compound	similarity	top predicted	shared targets
Pelargonidin SCHEMBL1947941	0.79	AKR1B1 (0.58)	EPHX2P4HBKDM4EGAAAKR1B1
Rutin SCHEMBL30900604	0.79	KDM4E (0.78)	EPHX2P4HBKDM4EGAAAKR1B1
SCHEMBL29887944	0.77	MEN1 (0.96)	EPHX2MEN1KMT2AMMP9P4HB
SCHEMBL13926870	0.76	EPHX2 (1.00)	EPHX2MEN1KMT2AMMP9P4HB
SCHEMBL2025447	0.76	EPHX2 (1.00)	EPHX2MEN1KMT2AMMP9P4HB
SCHEMBL25223513	0.76	EPHX2 (1.00)	EPHX2MEN1KMT2AMMP9P4HB
SCHEMBL28767123	0.76	EPHX2 (1.00)	EPHX2MEN1KMT2AMMP9P4HB
SCHEMBL13926793	0.76	EPHX2 (1.00)	EPHX2MEN1KMT2AMMP9P4HB
SCHEMBL31238537	0.76	EPHX2 (1.00)	EPHX2MEN1KMT2AMMP9P4HB
SCHEMBL29505883	0.76	EPHX2 (1.00)	EPHX2MEN1KMT2AMMP9P4HB

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2006083666-A1	ANTI-INFLAMMATORY SUPPLEMENT COMPOSITIONS AND REGIMENS TO REDUCE CARDIOVASCULAR DISEASE RISKS	A.M. TODD COMPANY (US)	2006-08-10	—	—	WO	disclosed