SCHEMBL17280555 — predicted protein targets

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	KDM1A	O60341	6/20	0.38

▸	CYP1B1	Q16678	7/20	0.37

▸	CYP1A2	P05177	1/20	0.37

▸	KCNH2	Q12809	2/20	0.36

▸	KDM1B	Q8NB78	2/20	0.36

▸	HTR2C	P28335	4/20	0.35

▸	HTR2B	P41595	4/20	0.35

▸	SLC6A4	P31645	3/20	0.35

▸	SLC6A2	P23975	2/20	0.34

▸	HTR2A	P28223	2/20	0.34

▸	SLC6A3	Q01959	1/20	0.34

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
SCHEMBL17275132	0.73	MEN1 (0.37)	KDM1ACYP1B1CYP1A2KCNH2KDM1B
SCHEMBL17275133	0.70	KDM1A (0.43)	KDM1ACYP1B1CYP1A2SLC6A4SLC6A2
SCHEMBL19417358	0.69	CYP1A2 (0.45)	CYP1B1CYP1A2
SCHEMBL29405395	0.69	CYP1A2 (0.45)	CYP1B1CYP1A2
SCHEMBL29406732	0.69	CYP1A2 (0.45)	CYP1B1CYP1A2
SCHEMBL30366558	0.69	CYP1A2 (0.45)	CYP1B1CYP1A2
SCHEMBL2679177	0.69	CYP1A2 (0.45)	CYP1B1CYP1A2
SCHEMBL3575204	0.69	CYP1A2 (0.45)	CYP1B1CYP1A2
SCHEMBL3583212	0.68	CYP1B1 (0.33)	CYP1B1CYP1A2
SCHEMBL16800979	0.67	CYP1A2 (0.40)	CYP1B1CYP1A2

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-2015179448-A1	THERAPEUTIC COMPOUNDS	GILEAD SCIENCES, INC. (US)	2015-11-26	—	—	WO	disclosed