Iodide

Iodide

SCHEMBL9670543

C[N+](C)(C)CCCc1ccc(CCC[N+](C)(C)C)cc1.[I-].[I-]

nearest known ligand 0.58

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
CHRM1 known ✓ P11229 3/20 0.53
CHRM3 known ✓ P20309 3/20 0.53
ACHE known ✓ P22303 3/20 0.43
ALDH1A1 P00352 4/20 0.58
PKM P14618 1/20 0.58
CHRM2 P08172 3/20 0.53
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
APEX1 P27695 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 3/20 0.43
LMNA P02545 3/20 0.43
HSD17B10 Q99714 3/20 0.43
NFKB1 P19838 2/20 0.43
PMP22 Q01453 2/20 0.43
HRH3 Q9Y5N1 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
DNM1 Q05193 1/20 0.40

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
Iodide SCHEMBL9671520 0.93 ALDH1A1 (0.52) ALDH1A1PKMCHRM2CHRM1CHRM3
Iodide SCHEMBL9677423 0.92 ALDH1A1 (0.56) ALDH1A1PKMCHRM2CHRM1CHRM3
Iodide SCHEMBL9670702 0.90 ALDH1A1 (0.54) ALDH1A1PKMCHRM2CHRM1CHRM3
Iodide SCHEMBL9671924 0.90 ALDH1A1 (0.54) ALDH1A1PKMCHRM2CHRM1CHRM3
Iodide SCHEMBL28875132 0.88 CHRM2 (0.58) ALDH1A1PKMCHRM2CHRM1CHRM3
SCHEMBL18053293 0.85 CHRM2 (0.55) ALDH1A1CHRM2CHRM1CHRM3MEN1
Iodide SCHEMBL9670708 0.84 CHRM2 (0.59) ALDH1A1PKMCHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL28353709 0.83 KDM4E (0.54) ALDH1A1CHRM2CHRM1CHRM3MEN1
Iodide SCHEMBL9670517 0.81 CHRM2 (0.51) ALDH1A1CHRM2CHRM1CHRM3KDM4E
SCHEMBL11320864 0.80 IGF1R (0.48) ALDH1A1PKMCHRM2CHRM1CHRM3

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5093370-A Useful prior to insertion of tracheotomy tube or discission TOBISHI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 1992-03-03 US disclosed