Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 15/20 | 0.58 |
| ▸ | CA1 | P00915 | 4/20 | 0.43 |
| ▸ | CA2 | P00918 | 4/20 | 0.43 |
| ▸ | CA9 | Q16790 | 4/20 | 0.43 |
| ▸ | CA12 | O43570 | 3/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6514529 | 0.90 | TRPA1 (0.59) | TRPA1 | |
| SCHEMBL6235332 | 0.85 | TRPA1 (0.72) | TRPA1 | |
| SCHEMBL5957285 | 0.85 | TRPA1 (0.76) | TRPA1 | |
| SCHEMBL6232753 | 0.85 | TRPA1 (0.56) | TRPA1GAA | |
| SCHEMBL6239555 | 0.84 | TRPA1 (0.62) | TRPA1 | |
| SCHEMBL6231949 | 0.84 | TRPA1 (0.73) | TRPA1 | |
| SCHEMBL6234041 | 0.82 | TRPA1 (0.59) | TRPA1GAA | |
| SCHEMBL5957391 | 0.82 | TRPA1 (0.59) | TRPA1 | |
| SCHEMBL6235761 | 0.82 | TRPA1 (0.56) | TRPA1 | |
| Hydrochloric Acid SCHEMBL5957324 | 0.82 | TRPA1 (0.76) | TRPA1CA1CA2CA9CA12 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1362054-A1 | BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS | Warner-Lambert Company LLC (US) | 2003-11-19 | — | — | EP | claimed |
| WO-2002064599-A1 | BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2002-08-22 | — | — | WO | claimed |
| EP-1536786-A1 | COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB | WARNER-LAMBERT COMPANY LLC (US) | 2005-06-08 | — | — | EP | disclosed |
| EP-1531904-A1 | COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 THAT IS NOT CELECOXIB OR VALDECOXIB | Warner-Lambert Company LLC (US) | 2005-05-25 | — | — | EP | disclosed |
| WO-2004007024-A1 | COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 THAT IS NOT CELECOXIB OR VALDECOXIB | WARNER-LAMBERT COMPANY LLC (US) | 2004-01-22 | — | — | WO | disclosed |
| WO-2004006913-A1 | COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB | WARNER-LAMBERT COMPANY LLC (US) | 2004-01-22 | — | — | WO | disclosed |