Iodide

Iodide

SCHEMBL9324294

CCCCCCCCC=CCCCCCCCC(=O)[N+](C)(C)C.[I-]

nearest known ligand 0.62

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 0.61
FABP3 P05413 6/20 0.62
TERT O14746 3/20 0.61
PTPN1 P18031 3/20 0.61
PPARG P37231 3/20 0.61
PPARD Q03181 3/20 0.61
PPARA Q07869 3/20 0.61
CYP1A2 P05177 2/20 0.61
MAPT P10636 2/20 0.61
CYP2C19 P33261 2/20 0.61
BLM P54132 2/20 0.61
HSD17B10 Q99714 2/20 0.61
FABP4 P15090 2/20 0.61
FAAH O00519 2/20 0.61
KMT2A Q03164 2/20 0.61
F7 P08709 2/20 0.61
F3 P13726 2/20 0.61
GMNN O75496 1/20 0.61
USP2 O75604 1/20 0.61
LMNA P02545 1/20 0.61

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
SCHEMBL157762 0.98 FABP3 (0.65) FABP3TERTPTPN1PPARGPPARD
SCHEMBL27509400 0.98 FABP3 (0.65) FABP3TERTPTPN1PPARGPPARD
SCHEMBL4047249 0.98 FABP3 (0.65) FABP3TERTPTPN1PPARGPPARD
Hydrochloric Acid SCHEMBL6940059 0.96 FABP3 (0.62) FABP3TERTPTPN1PPARGPPARD
Water SCHEMBL8017014 0.96 FABP3 (0.62) FABP3TERTPTPN1PPARGPPARD
Bromide SCHEMBL23798635 0.96 FABP3 (0.62) FABP3TERTPTPN1PPARGPPARD
Water SCHEMBL5704113 0.96 FABP3 (0.62) FABP3TERTPTPN1PPARGPPARD
Fluoride Ion SCHEMBL29227705 0.96 FABP3 (0.62) FABP3TERTPTPN1PPARGPPARD
Bromide SCHEMBL4655150 0.96 FABP3 (0.62) FABP3TERTPTPN1PPARGPPARD
Hydrochloric Acid SCHEMBL1029165 0.96 FABP3 (0.62) FABP3TERTPTPN1PPARGPPARD

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
US-5326841-A Germicidal barriers EPITOPE, INC. (US) 1994-07-05 US claimed
WO-1990009013-A2 GERMICIDAL BARRIERS EPITOPE, INC. (US) 1990-08-09 WO claimed
US-5326841-A Germicidal barriers EPITOPE, INC. (US) 1994-07-05 US disclosed