Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 15/20 | 0.60 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5957424 | 0.86 | TRPA1 (0.79) | TRPA1MMP13TP53 | |
| SCHEMBL7097138 | 0.85 | TRPA1 (0.55) | TRPA1MMP13ALDH1A1 | |
| SCHEMBL7152830 | 0.83 | TRPA1 (0.65) | TRPA1ALDH1A1TP53 | |
| SCHEMBL7150079 | 0.76 | TRPA1 (0.62) | TRPA1ALDH1A1 | |
| SCHEMBL7103846 | 0.76 | TRPA1 (0.45) | TRPA1 | |
| SCHEMBL7167986 | 0.76 | TRPA1 (0.43) | TRPA1 | |
| SCHEMBL7099747 | 0.75 | TRPA1 (0.45) | TRPA1MMP13ALDH1A1 | |
| SCHEMBL5957632 | 0.75 | TRPA1 (1.00) | TRPA1TP53 | |
| SCHEMBL5957359 | 0.72 | TRPA1 (1.00) | TRPA1TP53 | |
| SCHEMBL5957636 | 0.71 | TRPA1 (1.00) | TRPA1ALDH1A1TP53 |
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-1362054-A1 | BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS | Warner-Lambert Company LLC (US) | 2003-11-19 | — | — | EP | disclosed |
| WO-2002064599-A1 | BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2002-08-22 | — | — | WO | disclosed |