SCHEMBL3356984 — predicted protein targets

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	AAK1	Q2M2I8	11/20	0.44

▸	TRPA1	O75762	1/20	0.39

▸	CTSL	P07711	1/20	0.38

▸	CTSB	P07858	1/20	0.38

▸	CTSS	P25774	1/20	0.38

▸	CTSK	P43235	1/20	0.38

▸	SYK	P43405	1/20	0.37

▸	NSD2	O96028	1/20	0.35

▸	EGFR	P00533	1/20	0.35

▸	BRD4	O60885	1/20	0.35

▸	STK17B	O94768	1/20	0.34

▸	STK17A	Q9UEE5	1/20	0.34

▸	JAK3	P52333	1/20	0.34

▸	BTK	Q06187	1/20	0.34

▸	KHK	P50053	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
SCHEMBL14923599	1.00	AAK1 (0.44)	AAK1TRPA1CTSLCTSBCTSS
SCHEMBL14923607	1.00	AAK1 (0.44)	AAK1TRPA1CTSLCTSBCTSS
SCHEMBL10251020	0.90	SYK (0.39)	AAK1TRPA1CTSSCTSKSYK
SCHEMBL14931122	0.89	BRD4 (0.45)	AAK1TRPA1CTSSCTSKSYK
SCHEMBL14923673	0.88	TRPA1 (0.41)	AAK1TRPA1CTSSCTSKSYK
SCHEMBL14923528	0.88	BRD4 (0.38)	AAK1TRPA1CTSSCTSKSYK
SCHEMBL14923519	0.87	BRD4 (0.41)	AAK1TRPA1CTSSCTSKSYK
SCHEMBL14931117	0.87	TRPA1 (0.42)	AAK1TRPA1CTSSCTSKSYK
SCHEMBL14923676	0.87	TRPA1 (0.42)	AAK1TRPA1CTSSCTSKSYK
SCHEMBL14923522	0.86	CTSS (0.38)	AAK1TRPA1CTSSCTSKSYK

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-2012002577-A1	NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF	富士フイルム株式会社 (JP)	2012-01-05	—	—	WO	disclosed