Iodide

Iodide

SCHEMBL8912913

CCCCCCCCCCCCCCCCOCC[N+](C)(C)CCCCO.[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 1/20 0.44
CHRM3 known ✓ P20309 1/20 0.44
DNM1 Q05193 7/20 0.58
HTT P42858 3/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
THRB P10828 1/20 0.53
MAPT P10636 1/20 0.53
LMNA P02545 2/20 0.45
TSHR P16473 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MLNR O43193 1/20 0.44
NR1I2 O75469 1/20 0.44
ESR1 P03372 1/20 0.44
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
ADRB2 P07550 1/20 0.44
CHRM2 P08172 1/20 0.44
ADRB1 P08588 1/20 0.44

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 SCHEMBL8912350 0.95 DNM1 (0.55) DNM1HTTKMT2AMEN1THRB
SCHEMBL29377128 0.93 DNM1 (0.57) DNM1HTTKMT2AMEN1THRB
SCHEMBL25834238 0.93 DNM1 (0.61) DNM1HTTKMT2AMEN1THRB
SCHEMBL25834234 0.91 DNM1 (0.59) DNM1HTTKMT2AMEN1THRB
SCHEMBL13701161 0.89 HTT (0.65) DNM1HTTKMT2AMEN1THRB
SCHEMBL4808190 0.87 DNM1 (0.64) DNM1HTTKMT2AMEN1THRB
SCHEMBL29352912 0.87 DNM1 (0.64) DNM1HTTKMT2AMEN1THRB
SCHEMBL7091336 0.87 DNM1 (0.64) DNM1HTTKMT2AMEN1THRB
SCHEMBL7089797 0.87 DNM1 (0.64) DNM1HTTKMT2AMEN1THRB
Bromide SCHEMBL10492636 0.87 DNM1 (0.64) DNM1HTTKMT2ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5614548-A TREATING TUMORS AND HIV INFECTION, PROTEIN KINASE C INHIBITORS WAKE FOREST UNIVERSITY (US) 1997-03-25 US disclosed
WO-1990004918-A2 QUATERNARY AMINE CONTAINING ETHER OR ESTER LIPID DERIVATIVES AND THERAPEUTIC COMPOSITIONS WAKE FOREST UNIVERSITY (US) 1990-05-17 WO disclosed