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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.38 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.53 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.53 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.50 |
| ▸ | PRCP | P42785 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Nitric Acid SCHEMBL7008507 | 0.87 | OPRM1 (0.45) | OPRM1OPRK1CHRNA7PRCPCHRM2 | |
| SCHEMBL13335527 | 0.82 | CHRNA7 (0.53) | OPRM1OPRK1CHRNA7 | |
| SCHEMBL13335530 | 0.82 | CHRNA7 (0.53) | OPRM1OPRK1CHRNA7 | |
| SCHEMBL11004808 | 0.72 | OPRM1 (0.49) | OPRM1OPRK1 | |
| SCHEMBL10999027 | 0.72 | OPRM1 (0.51) | OPRM1OPRK1CHRNA7 | |
| SCHEMBL10999029 | 0.72 | OPRM1 (0.51) | OPRM1OPRK1CHRNA7 | |
| SCHEMBL10999032 | 0.72 | OPRM1 (0.51) | OPRM1OPRK1CHRNA7 | |
| SCHEMBL10606692 | 0.71 | CHRNA7 (0.55) | OPRM1OPRK1CHRNA7 | |
| SCHEMBL28016740 | 0.71 | CHRNA7 (0.55) | OPRM1OPRK1CHRNA7 | |
| SCHEMBL10610939 | 0.71 | CHRNA7 (0.51) | OPRM1OPRK1CHRNA7 |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1102769-B1 | TRICYCLIC CARBOXAMIDES | SMITHKLINE BEECHAM PLC (GB) | 2003-04-16 | — | — | EP | disclosed |
| EP-1102769-A2 | TRICYCLIC CARBOXAMIDES | SMITHKLINE BEECHAM PLC (GB) | 2001-05-30 | — | — | EP | disclosed |
| WO-2000008020-A2 | TRICYCLIC CARBOXAMIDES | SMITHKLINE BEECHAM P.L.C. (GB) | 2000-02-17 | — | — | WO | disclosed |