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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 3/20 | 0.96 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.57 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.50 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.50 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL2811534 | 0.98 | CHRNA7 (1.00) | CHRNA7TAAR1OPRM1OPRK1OPRL1 | |
| Hydrochloric Acid SCHEMBL7509300 | 0.96 | CHRNA7 (0.96) | CHRNA7TAAR1OPRM1OPRK1OPRL1 | |
| SCHEMBL3475010 | 0.93 | CHRNA7 (0.90) | CHRNA7TAAR1OPRM1OPRK1OPRL1 | |
| Iodide SCHEMBL7847003 | 0.93 | CHRNA7 (0.83) | CHRNA7TAAR1OPRM1OPRK1OPRL1 | |
| SCHEMBL14239889 | 0.93 | CHRNA7 (0.90) | CHRNA7TAAR1OPRM1OPRK1OPRL1 | |
| Hydrochloric Acid SCHEMBL7516224 | 0.91 | CHRNA7 (0.87) | CHRNA7TAAR1OPRM1OPRK1OPRL1 | |
| SCHEMBL10753534 | 0.89 | CHRNA7 (0.82) | CHRNA7TAAR1OPRM1OPRK1OPRL1 | |
| SCHEMBL20137193 | 0.87 | CHRNA7 (0.80) | CHRNA7TAAR1OPRM1OPRK1OPRL1 | |
| SCHEMBL5899579 | 0.87 | CHRNA7 (0.80) | CHRNA7TAAR1OPRM1OPRK1OPRL1 | |
| Nitric Acid SCHEMBL7839376 | 0.86 | CHRNA7 (0.77) | CHRNA7TAAR1OPRM1OPRK1OPRL1 |
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-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 |
| WO-2000008023-A1 | CONDENSED TRICYCLIC PIPERIDINES HAVING ANTI-CONVULSANT ACTIVITY | SMITHKLINE BEECHAM PLC (GB) | 2000-02-17 | — | — | WO | disclosed |