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 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9358423 | 0.65 | CYP3A4 (0.44) | CYP3A4 | |
| SCHEMBL11847478 | 0.58 | CYP3A4 (0.37) | CYP3A4 | |
| SCHEMBL796702 | 0.57 | CYP3A4 (0.35) | CYP3A4 | |
| SCHEMBL3264259 | 0.57 | — | — | |
| SCHEMBL714406 | 0.56 | — | — | |
| Iodide SCHEMBL4058733 | 0.56 | CYP3A4 (0.34) | CYP3A4 | |
| SCHEMBL1758396 | 0.55 | CYP3A4 (0.42) | CYP3A4 | |
| SCHEMBL9683055 | 0.54 | CYP3A4 (0.50) | CYP3A4 | |
| SCHEMBL9282194 | 0.54 | CYP3A4 (0.35) | CYP3A4 | |
| SCHEMBL2163308 | 0.53 | PKM (0.68) | CYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0296745-B1 | Process for the isomerization of symmetric triazoles to unsymmetric triazoles | DU PONT (US) | 1994-12-07 | — | — | EP | disclosed |
| EP-0367789-A1 | PROCESS FOR THE ISOMERIZATION OF SYMMETRIC TRIAZOLES TO UNSYMMETRIC TRIAZOLES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1990-05-16 | — | — | EP | disclosed |
| WO-1988010255-A1 | PROCESS FOR THE ISOMERIZATION OF SYMMETRIC TRIAZOLES TO UNSYMMETRIC TRIAZOLES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1988-12-29 | — | — | WO | disclosed |
| EP-0296745-A1 | Process for the isomerization of symmetric triazoles to unsymmetric triazoles | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1988-12-28 | — | — | EP | disclosed |