Cyanide — predicted protein targets

Predicted protein targets (top 17)

	gene	UniProt	supporting neighbours	confidence
▸	TAAR1	Q96RJ0	1/20	0.57

▸	NPC1	O15118	1/20	0.37

▸	RAB9A	P51151	1/20	0.37

▸	TNF	P01375	1/20	0.37

▸	TSHR	P16473	1/20	0.37

▸	POLB	P06746	2/20	0.37

▸	AMY1A	P0DUB6	1/20	0.36

▸	TDP1	Q9NUW8	2/20	0.35

▸	ALDH1A1	P00352	2/20	0.35

▸	TP53	P04637	1/20	0.35

▸	KDM4E	B2RXH2	2/20	0.34

▸	HTT	P42858	2/20	0.34

▸	GAA	P10253	1/20	0.34

▸	HPGD	P15428	1/20	0.34

▸	MEN1	O00255	2/20	0.33

▸	KMT2A	Q03164	2/20	0.33

▸	KDM4C	Q9H3R0	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
SCHEMBL698983	0.94	TAAR1 (0.63)	TAAR1NPC1RAB9ATNFTSHR
SCHEMBL38658478	0.94	TAAR1 (0.63)	TAAR1NPC1RAB9ATNFTSHR
SCHEMBL38650825	0.82	TAAR1 (0.59)	TAAR1NPC1RAB9ATNFTSHR
SCHEMBL79895	0.82	TAAR1 (0.59)	TAAR1NPC1RAB9ATNFTSHR
SCHEMBL9491792	0.80	TAAR1 (0.74)	TAAR1NPC1RAB9APOLBAMY1A
SCHEMBL38652213	0.80	TAAR1 (0.57)	TAAR1NPC1RAB9ATNFTSHR
SCHEMBL12952724	0.80	TAAR1 (0.57)	TAAR1NPC1RAB9ATNFTSHR
SCHEMBL11237534	0.78	TAAR1 (0.55)	TAAR1NPC1RAB9ATNFTSHR
Cyanide SCHEMBL27976996	0.77	TAAR1 (0.53)	TAAR1TSHRPOLBTDP1ALDH1A1
SCHEMBL30585189	0.77	TP53 (0.44)	TAAR1NPC1RAB9ATNFTDP1

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-105330565-A	Novel method for catalytically synthesizing cyanobenzene derivative through copper	UNIV HANGZHOU NORMAL	2016-02-17	—	—	CN	disclosed