SCHEMBL28031675 — predicted protein targets

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CA12	O43570	1/20	0.36

▸	CA1	P00915	1/20	0.36

▸	CA2	P00918	1/20	0.36

▸	CA9	Q16790	1/20	0.36

▸	CA14	Q9ULX7	1/20	0.36

▸	CYP17A1	P05093	2/20	0.33

▸	ALDH1A1	P00352	1/20	0.33

▸	DGAT1	O75907	1/20	0.33

▸	PTPN2	P17706	1/20	0.32

▸	PTPN1	P18031	1/20	0.32

▸	PTPN6	P29350	1/20	0.32

▸	ELANE	P08246	2/20	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
SCHEMBL29023313	0.87	CA12 (0.41)	CA12CA1CA2CA9CA14
SCHEMBL28298942	0.74	ALDH1A1 (0.50)	ALDH1A1DGAT1ELANE
SCHEMBL33412	0.74	ALDH1A1 (0.50)	ALDH1A1DGAT1ELANE
SCHEMBL28270676	0.72	ALDH1A1 (0.48)	ALDH1A1DGAT1
Ammonia Solution, Strong SCHEMBL1022660	0.72	ALDH1A1 (0.48)	ALDH1A1DGAT1
Ethylene SCHEMBL16830236	0.72	ALDH1A1 (0.48)	ALDH1A1DGAT1
Methane SCHEMBL28207399	0.72	ALDH1A1 (0.48)	ALDH1A1DGAT1
SCHEMBL28064991	0.72	ALDH1A1 (0.48)	ALDH1A1DGAT1
SCHEMBL28184760	0.72	ALDH1A1 (0.48)	ALDH1A1DGAT1
SCHEMBL19209527	0.71	ALDH1A1 (0.38)	ALDH1A1DGAT1

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
CN-105051001-A	Polymerizable compound and liquid crystal composition using same	DAINIPPON INK &AMP	2015-11-11	—	—	CN	disclosed