SCHEMBL28239089 — predicted protein targets

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	PHGDH	O43175	5/20	0.40

▸	CYP3A4	P08684	1/20	0.39

▸	SLC9A1	P19634	1/20	0.39

▸	CYP2C19	P33261	1/20	0.39

▸	AKR1C3	P42330	1/20	0.39

▸	TRPV1	Q8NER1	5/20	0.38

▸	NPY2R	P49146	1/20	0.37

▸	NOTUM	Q6P988	1/20	0.36

▸	TTR	P02766	1/20	0.35

▸	HSD11B1	P28845	1/20	0.35

▸	RBP4	P02753	1/20	0.34

▸	SLC6A9	P48067	1/20	0.34

▸	HTT	P42858	1/20	0.34

▸	SMN1; SMN2	Q16637	1/20	0.34

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
SCHEMBL28239091	0.78	SLC6A9 (0.53)	CYP3A4CYP2C19SLC6A9SMN1; SMN2
SCHEMBL28239107	0.77	NCF1 (0.45)	NOTUM
SCHEMBL13490136	0.66	HSD11B1 (0.52)	AKR1C3NPY2RTTRHSD11B1RBP4
SCHEMBL28000110	0.65	TTR (0.59)	CYP3A4SLC9A1CYP2C19AKR1C3NPY2R
SCHEMBL10259980	0.65	ALDH1A1 (0.48)	PHGDHAKR1C3NPY2RRBP4HTT
SCHEMBL2779367	0.65	MAPT (0.51)	CYP3A4SLC9A1CYP2C19AKR1C3TRPV1
SCHEMBL10155952	0.64	CDK4 (0.34)	TRPV1HSD11B1HTT
SCHEMBL264195	0.64	GFER (0.54)	CYP3A4SLC9A1CYP2C19AKR1C3NPY2R
SCHEMBL31316983	0.64	GFER (0.54)	CYP3A4SLC9A1CYP2C19AKR1C3NPY2R
SCHEMBL9640565	0.63	TSHR (0.48)	CYP3A4CYP2C19AKR1C3

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-105143202-B	Dithiocarboxylic acid esters having spermicidal activity and process for their preparation	科学与工业研究委员会	2018-08-14	—	—	CN	disclosed