SCHEMBL30101740 — predicted protein targets

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	BRD4	O60885	1/20	0.47

▸	HSD17B10	Q99714	4/20	0.43

▸	HTT	P42858	1/20	0.43

▸	BDKRB1	P46663	12/20	0.41

▸	MAPT	P10636	2/20	0.40

▸	KDM4E	B2RXH2	4/20	0.40

▸	ALDH1A1	P00352	3/20	0.40

▸	CYP1A2	P05177	1/20	0.40

▸	CYP2C19	P33261	1/20	0.40

▸	NPSR1	Q6W5P4	2/20	0.39

▸	ALOX15	P16050	1/20	0.39

▸	L3MBTL1	Q9Y468	1/20	0.39

▸	GAA	P10253	1/20	0.39

▸	HPGD	P15428	1/20	0.39

▸	POLB	P06746	1/20	0.38

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
SCHEMBL28911336	0.83	BRD4 (0.49)	BRD4HSD17B10MAPTKDM4EALDH1A1
SCHEMBL31272902	0.78	ATR (0.47)	BRD4HSD17B10MAPTKDM4EALDH1A1
SCHEMBL29764175	0.76	BRD4 (0.47)	BRD4HSD17B10HTTMAPTKDM4E
SCHEMBL21831480	0.76	BRD4 (0.47)	BRD4HSD17B10HTTMAPTKDM4E
SCHEMBL25389928	0.75	BRD4 (0.49)	BRD4HSD17B10HTTMAPTKDM4E
SCHEMBL31288369	0.75	BRD4 (0.49)	BRD4HSD17B10HTTMAPTKDM4E
SCHEMBL28378376	0.75	BDKRB1 (0.53)	HSD17B10HTTBDKRB1
SCHEMBL30662586	0.74	BRD4 (0.49)	BRD4HTTMAPTKDM4ECYP1A2
SCHEMBL30101854	0.74	BDKRB1 (0.49)	HSD17B10HTTBDKRB1MAPT
SCHEMBL5847015	0.72	BRD4 (0.47)	BRD4HTTMAPTKDM4ECYP1A2

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-111471059-B	PDE9 inhibitors and uses thereof	药捷安康(南京)科技股份有限公司	2022-12-02	—	—	CN	disclosed