SCHEMBL4729293 — predicted protein targets

Predicted protein targets (top 17)

	gene	UniProt	supporting neighbours	confidence
▸	ESR1	P03372	2/20	0.34

▸	ESR2	Q92731	2/20	0.34

▸	CA12	O43570	2/20	0.33

▸	CA1	P00915	2/20	0.33

▸	CA2	P00918	2/20	0.33

▸	CA3	P07451	2/20	0.33

▸	CA4	P22748	2/20	0.33

▸	CA6	P23280	2/20	0.33

▸	CA5A	P35218	2/20	0.33

▸	CA7	P43166	2/20	0.33

▸	CA9	Q16790	2/20	0.33

▸	CA14	Q9ULX7	2/20	0.33

▸	CA5B	Q9Y2D0	2/20	0.33

▸	DNM1	Q05193	1/20	0.33

▸	LMNA	P02545	1/20	0.33

▸	TSHR	P16473	1/20	0.33

▸	BLM	P54132	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
SCHEMBL5166905	0.91	ESR1 (0.33)	ESR1ESR2
SCHEMBL9931354	0.82	DNM1 (0.44)	CA12CA1CA2CA3CA4
SCHEMBL19578784	0.79	CES1 (0.47)	ESR1ESR2CA2TSHRBLM
SCHEMBL7551581	0.79	ESR1 (0.34)	ESR1ESR2
SCHEMBL4730525	0.79	ESR1 (0.36)	ESR1ESR2
SCHEMBL10500778	0.79	ESR1 (0.34)	ESR1ESR2
SCHEMBL9578948	0.79	CES1 (0.47)	ESR1ESR2CA2TSHRBLM
SCHEMBL2307489	0.79	ESR1 (0.36)	ESR1ESR2
SCHEMBL7593649	0.79	ESR1 (0.34)	ESR1ESR2
SCHEMBL15012658	0.79	ESR1 (0.34)	ESR1ESR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-108699021-B	Heterocyclic antiestrogens	太阳医药高级研究有限公司	2022-10-04	—	—	CN	disclosed
WO-2008044033-A1	AMIDE DERIVATIVES	ASTRAZENECA AB (SE)	2008-04-17	—	—	WO	disclosed