SCHEMBL25869101 — predicted protein targets

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	PDK2	Q15119	15/20	0.34

▸	ALDH1A1	P00352	2/20	0.30

▸	HPGD	P15428	2/20	0.30

▸	TSHR	P16473	2/20	0.30

▸	MAPK1	P28482	2/20	0.30

▸	CASP1	P29466	2/20	0.30

▸	HIF1A	Q16665	2/20	0.30

▸	HSD17B10	Q99714	2/20	0.30

▸	L3MBTL1	Q9Y468	1/20	0.30

▸	TP53	P04637	1/20	0.30

▸	CASP7	P55210	1/20	0.30

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
SCHEMBL25845469	0.97	PDK2 (0.34)	PDK2ALDH1A1HPGDTSHRMAPK1
SCHEMBL25861174	0.97	PDK2 (0.34)	PDK2ALDH1A1HPGDTSHRMAPK1
SCHEMBL25845574	0.94	ALDH1A1 (0.31)	PDK2ALDH1A1HPGDTSHRMAPK1
SCHEMBL25869104	0.93	PDK2 (0.36)	PDK2
SCHEMBL25868996	0.92	ALDH1A1 (0.31)	ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL25845577	0.90	PDK2 (0.35)	PDK2
SCHEMBL25845369	0.89	TYMS (0.33)	PDK2ALDH1A1HPGDTSHRMAPK1
SCHEMBL25861178	0.89	PDK2 (0.34)	PDK2
SCHEMBL25869220	0.88	ALDH1A1 (0.32)	ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL25869349	0.88	PDK2 (0.35)	PDK2

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-2023120714-A1	COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE	出光興産株式会社	2023-06-29	—	—	WO	disclosed