SCHEMBL20155663 — predicted protein targets

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	HSPB1	P04792	3/20	0.36

▸	LPL	P06858	1/20	0.35

▸	LIPG	Q9Y5X9	1/20	0.35

▸	TRPA1	O75762	5/20	0.34

▸	PTGS2	P35354	6/20	0.33

▸	NPBWR1	P48145	1/20	0.33

▸	MCHR1	Q99705	1/20	0.33

▸	PTGS1	P23219	2/20	0.33

▸	ALDH1A1	P00352	1/20	0.33

▸	MAP4K4	O95819	1/20	0.32

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
SCHEMBL15069672	0.85	HSPB1 (0.39)	HSPB1LPLLIPGTRPA1PTGS2
SCHEMBL29533045	0.85	HSPB1 (0.39)	HSPB1LPLLIPGTRPA1PTGS2
SCHEMBL20155120	0.81	ALDH1A1 (0.40)	HSPB1LPLLIPGTRPA1PTGS2
SCHEMBL16650187	0.81	TRPA1 (0.40)	HSPB1TRPA1MAP4K4
SCHEMBL28696111	0.75	HSPB1 (0.38)	HSPB1LPLLIPGTRPA1PTGS2
SCHEMBL31256196	0.75	LIPE (0.31)	LPLLIPG
SCHEMBL20155048	0.75	BRD4 (0.42)	HSPB1PTGS2ALDH1A1
SCHEMBL21904778	0.74	JAK2 (0.34)	LPLLIPG
SCHEMBL20155072	0.74	MEN1 (0.40)	HSPB1LPLLIPGALDH1A1
SCHEMBL21904915	0.73	HSPB1 (0.39)	HSPB1LPLLIPGTRPA1PTGS2

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-2018086604-A1	NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF	山东罗欣药业集团股份有限公司	2018-05-17	—	—	WO	disclosed