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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 known ✓ | P20309 | 3/20 | 0.47 |
| ▸ | CHRM1 known ✓ | P11229 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CXCR3 | P49682 | 6/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.47 |
| ▸ | OPRL1 | P41146 | 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11547501 | 0.99 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL11243848 | 0.93 | OPRM1 (0.49) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL11551237 | 0.85 | SLC6A4 (0.60) | ALDH1A1CXCR3SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11539809 | 0.81 | SLC6A4 (0.60) | ALDH1A1SLC6A2SLC6A4SLC6A3CHRM3 | |
| SCHEMBL11539814 | 0.81 | SLC6A4 (0.60) | ALDH1A1SLC6A2SLC6A4SLC6A3CHRM3 | |
| SCHEMBL11260608 | 0.80 | OPRM1 (0.50) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11550754 | 0.80 | SLC6A4 (0.47) | CYP2D6CXCR3SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11242548 | 0.80 | SLC6A4 (0.60) | ALDH1A1CXCR3SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11539003 | 0.80 | SLC6A2 (0.59) | CYP1A2CYP2D6CYP2C19CXCR3SLC6A2 | |
| SCHEMBL11539000 | 0.80 | SLC6A2 (0.59) | CYP1A2CYP2D6CYP2C19CXCR3SLC6A2 |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4141893-A | Decahydrocyclopent[c]azepines | ELI LILLY AND COMPANY (US) | 1979-02-27 | — | — | US | disclosed |