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.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7611004 | 0.99 | MAOB (0.30) | — | |
| SCHEMBL4325286 | 0.75 | NR1H4 (0.38) | — | |
| Iodide SCHEMBL4317223 | 0.72 | ALOX5 (0.41) | — | |
| SCHEMBL4325264 | 0.71 | ALOX5 (0.42) | — | |
| Iodide SCHEMBL6136629 | 0.71 | GPX4 (0.38) | — | |
| SCHEMBL4325207 | 0.70 | SMN1; SMN2 (0.46) | — | |
| SCHEMBL5852597 | 0.69 | GPX4 (0.38) | — | |
| Iodide SCHEMBL6136762 | 0.66 | SCN10A (0.41) | — | |
| SCHEMBL7617058 | 0.66 | CNR2 (0.31) | — | |
| SCHEMBL7612304 | 0.66 | ALDH1A1 (0.33) | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0991654-B1 | NOVEL 2-(IMINOMETHYL)AMINO-PHENYL DERIVATIVES, PREPARATION, APPLICATION AS MEDICINES AND COMPOSITIONS CONTAINING SAME | SOD CONSEILS RECH APPLIC (FR) | 2005-06-15 | — | — | EP | claimed |
| US-20020042511-A1 | Neuronal Nitric oxide synthase inhibitors; use to treat ischemia | SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) | 2002-04-11 | — | — | US | disclosed |