Iodide — predicted protein targets

Known targets — ChEMBL curated mechanism

ACHE CHRM1 CHRM3 CHRNA1 CHRNB1 CHRND CHRNE CHRNG

The experimentally established mechanism targets of Iodide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 1)

	gene	UniProt	supporting neighbours	confidence
▸	CA5A	P35218	1/20	0.32

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
Hydrochloric Acid SCHEMBL7944199	0.97	CA5A (0.32)	CA5A
Iodide SCHEMBL7954665	0.70	AKR1C3 (0.35)	CA5A
Iodide SCHEMBL8591609	0.68	KDM4E (0.32)	CA5A
Hydrochloric Acid SCHEMBL7944196	0.67	AKR1C3 (0.35)	CA5A
Hydrochloric Acid SCHEMBL8590325	0.65	KDM4E (0.32)	CA5A
Iodide SCHEMBL3498356	0.63	DNMT1 (0.35)	—
SCHEMBL669554	0.63	CA5A (0.67)	CA5A
SCHEMBL12311026	0.62	CA5A (0.48)	CA5A
SCHEMBL1976289	0.61	CA5A (0.52)	CA5A
SCHEMBL7229486	0.60	TP53 (0.41)	CA5A

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-6297253-B1	INACTIVATING A NUCLEAR LOCALIZATION SIGNAL OF A PROTEIN COMPRISING CONTACTING THE PROTEIN WITH AN ARYL CARBONYL COMPOUND THAT FORMS STABLE REVERSIBLE COVALENT INTERACTIONS WITH NEIGHBORING BASIC AMINO ACID RESIDUES	THE PICOWER INSTITUTE FOR MEDICAL RESEARCH	2001-10-02	—	—	US	claimed