SCHEMBL20026535 — predicted protein targets

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CYP3A4	P08684	1/20	0.46

▸	TDP1	Q9NUW8	1/20	0.46

▸	ALDH1A1	P00352	2/20	0.41

▸	TSHR	P16473	1/20	0.37

▸	ESR1	P03372	2/20	0.37

▸	ESR2	Q92731	2/20	0.37

▸	DRD1	P21728	2/20	0.33

▸	KDM4E	B2RXH2	1/20	0.33

▸	GAA	P10253	1/20	0.33

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
SCHEMBL29809925	0.96	CYP3A4 (0.46)	CYP3A4TDP1ALDH1A1TSHRESR1
SCHEMBL503707	0.96	CYP3A4 (0.46)	CYP3A4TDP1ALDH1A1TSHRESR1
SCHEMBL28576375	0.86	ALDH1A1 (0.48)	TDP1ALDH1A1TSHR
SCHEMBL28352956	0.78	TDP1 (0.50)	CYP3A4TDP1ALDH1A1TSHRESR1
SCHEMBL29775855	0.78	ALDH1A1 (0.38)	CYP3A4TDP1ALDH1A1TSHR
SCHEMBL30984337	0.75	ALDH1A1 (0.36)	CYP3A4TDP1ALDH1A1DRD1
SCHEMBL29617782	0.75	ALDH1A1 (0.35)	ALDH1A1TSHR
SCHEMBL29617752	0.75	ALDH1A1 (0.35)	ALDH1A1TSHR
SCHEMBL28815796	0.75	ALDH1A1 (0.35)	ALDH1A1TSHR
SCHEMBL705407	0.74	TDP1 (0.50)	CYP3A4TDP1ALDH1A1TSHRESR1

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-2018062720-A2	ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME	주식회사 두산	2018-04-05	—	—	WO	disclosed