SCHEMBL21784764 — predicted protein targets

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	TSHR	P16473	1/20	0.39

▸	SLC6A3	Q01959	2/20	0.39

▸	ALDH1A1	P00352	1/20	0.38

▸	CYP3A4	P08684	1/20	0.37

▸	KAT2B	Q92831	1/20	0.37

▸	BAZ2B	Q9UIF8	1/20	0.37

▸	USP2	O75604	1/20	0.37

▸	PDE10A	Q9Y233	1/20	0.37

▸	PTGS1	P23219	1/20	0.36

▸	PTGS2	P35354	1/20	0.36

▸	KDM1A	O60341	1/20	0.35

▸	L3MBTL1	Q9Y468	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
SCHEMBL21780570	0.86	SLC6A3 (0.39)	TSHRSLC6A3ALDH1A1CYP3A4KAT2B
SCHEMBL8625938	0.80	PDE10A (0.35)	TSHRSLC6A3CYP3A4KAT2BBAZ2B
SCHEMBL16234728	0.77	ADRA2A (0.38)	PDE10A
SCHEMBL22156257	0.77	ADRA2A (0.39)	TSHRALDH1A1CYP3A4PDE10APTGS1
SCHEMBL22152594	0.75	ADRA2A (0.36)	KAT2BBAZ2BPDE10A
SCHEMBL28068627	0.74	TSHR (0.39)	TSHRSLC6A3ALDH1A1USP2
SCHEMBL1222346	0.72	PTGDR2 (0.41)	TSHRSLC6A3USP2PTGS1
SCHEMBL2062415	0.72	PTGDR2 (0.41)	TSHRSLC6A3USP2PTGS1
SCHEMBL2062805	0.72	PTGDR2 (0.41)	TSHRSLC6A3USP2PTGS1
SCHEMBL21784784	0.72	MMP2 (0.42)	SLC6A3ALDH1A1CYP3A4PTGS1PTGS2

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-2020047239-A1	INHIBITING αV β6 INTEGRIN	MORPHIC THERAPEUTIC, INC. (US)	2020-03-05	—	—	WO	disclosed