Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 7/20 | 0.38 |
| ▸ | PTGES | O14684 | 1/20 | 0.32 |
| ▸ | ATF1 | P18846 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16635332 | 0.80 | TRPA1 (0.36) | TRPA1 | |
| SCHEMBL16634852 | 0.79 | TRPA1 (0.47) | TRPA1 | |
| SCHEMBL16634879 | 0.77 | TRPA1 (0.58) | TRPA1PTGES | |
| Hydrochloric Acid SCHEMBL16635551 | 0.69 | PIK3CA (0.38) | TRPA1 | |
| SCHEMBL16635047 | 0.69 | TRPA1 (0.58) | TRPA1PTGES | |
| SCHEMBL17959640 | 0.69 | TRPA1 (0.50) | TRPA1 | |
| SCHEMBL17959656 | 0.69 | TRPA1 (0.48) | TRPA1 | |
| SCHEMBL16648028 | 0.68 | TRPA1 (0.57) | TRPA1 | |
| Hydrochloric Acid SCHEMBL16635056 | 0.68 | TRPA1 (0.39) | TRPA1 | |
| Hydrochloric Acid SCHEMBL17959544 | 0.67 | TRPA1 (0.57) | TRPA1 |
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-3055302-A1 | SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS | F. Hoffmann-La Roche AG (CH) | 2016-08-17 | — | — | EP | disclosed |
| WO-2015052264-A1 | SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2015-04-16 | — | — | WO | disclosed |