Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 5/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.40 |
| ▸ | MMP13 | P45452 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6472710 | 0.89 | TRPA1 (0.49) | TRPA1HIF1AMMP13ALDH1A1MEN1 | |
| SCHEMBL6256050 | 0.89 | TRPA1 (0.49) | TRPA1HIF1AMMP13ALDH1A1MEN1 | |
| SCHEMBL6252686 | 0.84 | MMP13 (0.53) | TRPA1MMP13ALDH1A1MEN1KMT2A | |
| SCHEMBL6916168 | 0.84 | TRPA1 (0.42) | TRPA1HIF1AMMP13ALDH1A1MEN1 | |
| SCHEMBL6255943 | 0.83 | HIF1A (0.48) | TRPA1HIF1AMMP13ALDH1A1HTT | |
| SCHEMBL6445993 | 0.83 | HIF1A (0.53) | TRPA1HIF1AMMP13ALDH1A1HTT | |
| SCHEMBL6254718 | 0.81 | MMP13 (0.45) | TRPA1HIF1AMMP13ALDH1A1MEN1 | |
| SCHEMBL6725010 | 0.81 | TRPA1 (0.47) | TRPA1HIF1AMMP13MEN1KMT2A | |
| SCHEMBL6533924 | 0.81 | MMP13 (0.49) | TRPA1MMP13ALDH1A1MEN1KMT2A | |
| SCHEMBL6730796 | 0.81 | MMP13 (0.49) | TRPA1MMP13ALDH1A1MEN1KMT2A |
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-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 |
| 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 |