Iodide

Iodide

SCHEMBL9151128

CC[N+](CC)(CC)c1cccc(O)c1.[I-]

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG

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 20)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 6/20 0.66
CHRM1 known ✓ P11229 2/20 0.44
CHRM3 known ✓ P20309 2/20 0.44
TSHR P16473 3/20 0.66
OPRM1 P35372 1/20 0.66
BLM P54132 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
CHRM2 P08172 2/20 0.44
ALDH1A1 P00352 4/20 0.44
CYP3A4 P08684 3/20 0.44
CA12 O43570 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
LMNA P02545 1/20 0.44
CA5A P35218 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL4611780 0.98 ACHE (0.68) ACHETSHROPRM1BLMSMN1; SMN2
Bromide SCHEMBL30267654 0.81 ACHE (0.56) ACHETSHROPRM1BLMSMN1; SMN2
SCHEMBL9351826 0.80 ACHE (0.56) ACHETSHROPRM1BLMSMN1; SMN2
SCHEMBL4611923 0.79 ACHE (0.71) ACHETSHROPRM1BLMSMN1; SMN2
Edrophonium SCHEMBL29627074 0.79 ACHE (1.00) ACHETSHROPRM1BLMSMN1; SMN2
Edrophonium SCHEMBL34790 0.79 ACHE (1.00) ACHETSHROPRM1BLMSMN1; SMN2
Edrophonium SCHEMBL8009388 0.79 ACHE (1.00) ACHETSHROPRM1BLMSMN1; SMN2
Edrophonium SCHEMBL19148596 0.78 ACHE (1.00) ACHETSHROPRM1BLMSMN1; SMN2
Edrophonium SCHEMBL34789 0.78 ACHE (1.00) ACHETSHROPRM1BLMSMN1; SMN2
Edrophonium SCHEMBL10893553 0.78 ACHE (0.96) ACHETSHROPRM1BLMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0328391-B1 Stabilizers for photographic emulsions MINNESOTA MINING & MFG (US) 1995-01-11 EP disclosed
US-4988615-A Stabilizers for photographic emulsions MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-01-29 US disclosed
EP-0328391-A2 Stabilizers for photographic emulsions MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-08-16 EP disclosed