Iodide

Iodide

SCHEMBL3793365

CCCCCCN1CN(C)C(Cl)=C1Cl.I

nearest known ligand 0.39

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
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
GBA1 P04062 1/20 0.36
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.34
NPC1 O15118 1/20 0.34
APOBEC3A P31941 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
NOD2 Q9HC29 1/20 0.34
EEF2K O00418 1/20 0.34
PTGS1 P23219 3/20 0.33
PTGS2 P35354 3/20 0.33
MGLL Q99685 3/20 0.33
FAAH O00519 2/20 0.33
ALDH1A1 P00352 2/20 0.33

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
SCHEMBL13227911 0.98 GNAI3 (0.37) GNAI3GNAO1GNAI1KDM4EGAA
SCHEMBL4058237 0.72 GNAI3 (0.38) GNAI3GNAO1GNAI1GAAGBA1
SCHEMBL4062055 0.72 GNAI3 (0.38) GNAI3GNAO1GNAI1GAAGBA1
SCHEMBL4234739 0.72 GNAI3 (0.38) GNAI3GNAO1GNAI1GAAGBA1
SCHEMBL4066563 0.72 GNAI3 (0.38) GNAI3GNAO1GNAI1GAAGBA1
SCHEMBL411687 0.72 GNAI3 (0.38) GNAI3GNAO1GNAI1GAAGBA1
Bromide SCHEMBL11538259 0.71 ALDH1A1 (0.38) GNAI3GNAO1GNAI1KDM4EGAA
SCHEMBL31426987 0.69 GBA1 (0.39) GNAI3GNAO1GNAI1GBA1EEF2K
SCHEMBL31426994 0.69 GBA1 (0.39) GNAI3GNAO1GNAI1GBA1EEF2K
SCHEMBL21049617 0.67 CDC25A (0.51) KDM4ELMNAHTTEEF2KALDH1A1

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-20100210616-A1 METAL COMPLEXES INCORPORATED WITHIN BIODEGRADABLE NANOPARTICLES AND THEIR USE THE UNIVERSITY OF AKRON (US) 2010-08-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100210616-A1 METAL COMPLEXES INCORPORATED WITHIN BIODEGRADABLE NANOPARTICLES AND THEIR USE ALG1, CD68, MAN2B1 GNAI3 1571/4885GNAO1 3663/4885GNAI1 1660/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.