Iodide

SCHEMBL9307009

CCCCCCCCCCCCCCCCOc1ccc(C(C)NC(=O)c2cccc[n+]2CC)cc1C(C)(C)C.[I-]

nearest known ligand 0.46

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 6)

	gene	UniProt	supporting neighbours	confidence
▸	C5	P01031	1/20	0.42

▸	THRA	P10827	1/20	0.41

▸	THRB	P10828	1/20	0.41

▸	KDM4E	B2RXH2	1/20	0.36

▸	ALDH1A1	P00352	1/20	0.36

▸	TDP1	Q9NUW8	1/20	0.36

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
Iodide SCHEMBL9308062	0.94	C5 (0.42)	C5THRATHRBKDM4EALDH1A1
Iodide SCHEMBL9305505	0.94	C5 (0.42)	C5THRATHRBKDM4EALDH1A1
Iodide SCHEMBL9305764	0.94	C5 (0.42)	C5THRATHRBKDM4EALDH1A1
Iodide SCHEMBL9308343	0.90	C5 (0.43)	C5THRATHRB
Iodide SCHEMBL9307932	0.87	C5 (0.50)	C5
Iodide SCHEMBL9306355	0.87	C5 (0.50)	C5
Iodide SCHEMBL9304970	0.87	C5 (0.44)	C5THRATHRB
Iodide SCHEMBL9306672	0.82	THRA (0.43)	THRATHRB
Iodide SCHEMBL9306385	0.81	C5 (0.43)	C5THRATHRB
Iodide SCHEMBL9306940	0.81	C5 (0.49)	C5

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-5328921-A	Antagonist of platelet activating factor	AMERICAN CYANAMID COMPANY (US)	1994-07-12	—	—	US	disclosed