SCHEMBL19576264 — predicted protein targets

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	NOTUM	Q6P988	1/20	0.39

▸	LGALS3	P17931	1/20	0.38

▸	P2RX7	Q99572	1/20	0.38

▸	NCF1	P14598	7/20	0.37

▸	DRD2	P14416	5/20	0.37

▸	CYBB	P04839	1/20	0.37

▸	NOX5	Q96PH1	1/20	0.37

▸	DRD4	P21917	2/20	0.36

▸	DRD3	P35462	2/20	0.36

▸	DPP4	P27487	1/20	0.36

▸	GBA1	P04062	1/20	0.36

▸	MMP2	P08253	1/20	0.35

▸	MMP9	P14780	1/20	0.35

▸	MMP8	P22894	1/20	0.35

▸	MMP13	P45452	1/20	0.35

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
SCHEMBL19576218	0.89	NOTUM (0.39)	NOTUMLGALS3P2RX7NCF1DRD2
SCHEMBL19576265	0.89	NOTUM (0.39)	NOTUMLGALS3P2RX7NCF1DRD2
SCHEMBL25494738	0.87	DRD2 (0.42)	NCF1DRD2CYBBNOX5DRD4
SCHEMBL24334134	0.87	NCF1 (0.38)	LGALS3NCF1DRD2CYBBNOX5
SCHEMBL25494740	0.87	DRD2 (0.42)	NCF1DRD2CYBBNOX5DRD4
SCHEMBL23922144	0.87	NCF1 (0.38)	LGALS3NCF1DRD2CYBBNOX5
SCHEMBL24372151	0.87	NCF1 (0.43)	NCF1CYBBNOX5
SCHEMBL25494745	0.87	DRD2 (0.42)	NCF1DRD2CYBBNOX5DRD4
SCHEMBL29329316	0.86	NOTUM (0.49)	NOTUMLGALS3P2RX7NCF1DRD2
SCHEMBL25494737	0.85	DRD2 (0.41)	NCF1DRD2CYBBNOX5DRD4

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-2017191579-A1	AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE	NOVARTIS AG (CH)	2017-11-09	—	—	WO	disclosed