SCHEMBL31182552

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nearest known ligand 0.47

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	3/20	0.47

▸	CTSD	P07339	2/20	0.47

▸	CAPN1	P07384	4/20	0.46

▸	CALCRL	Q16602	4/20	0.45

▸	SLC6A2	P23975	1/20	0.44

▸	EP300	Q09472	1/20	0.42

▸	HIF1A	Q16665	1/20	0.42

▸	RAMP3	O60896	4/20	0.41

▸	CALCR	P30988	4/20	0.41

▸	STAT3	P40763	1/20	0.41

▸	CTSB	P07858	1/20	0.41

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
SCHEMBL29733250	0.92	CALCRL (0.47)	BACE1CTSDCAPN1CALCRLSLC6A2
SCHEMBL30495783	0.91	EP300 (0.48)	BACE1CTSDCALCRLEP300HIF1A
SCHEMBL30150591	0.90	BACE1 (0.51)	BACE1CTSDCALCRLEP300HIF1A
SCHEMBL30495673	0.90	BACE1 (0.49)	BACE1CTSDCAPN1CALCRL
SCHEMBL30150556	0.89	BACE1 (0.49)	BACE1CTSDCALCRL
SCHEMBL29641620	0.88	KDM1A (0.45)	BACE1CTSDCAPN1CALCRLEP300
SCHEMBL29471333	0.87	RAMP3 (0.48)	EP300HIF1ARAMP3CALCR
SCHEMBL29733288	0.85	CALCRL (0.51)	BACE1CTSDCALCRLSLC6A2STAT3
SCHEMBL8625484	0.85	CAPN1 (0.54)	CAPN1SLC6A2STAT3CTSB
SCHEMBL31031590	0.85	KDM1A (0.50)	CAPN1RAMP3CALCR

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
US-20240350475-A1	TRIGONELLINE MITIGATES CARDIOMYOPATHY CAUSED BY SARS-COV-2 SPIKE PROTEIN UNDER OBESITY	UNIVERSITY OF SOUTH CAROLINA (US)	2024-10-24	—	—	US	disclosed