Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP13 | P45452 | 6/20 | 0.53 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.43 |
| ▸ | PDE2A | O00408 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ASPH | Q12797 | 1/20 | 0.42 |
| ▸ | RIOX2 | Q8IUF8 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6364247 | 0.90 | MMP13 (0.65) | MMP13SLC22A8ALDH1A1HPGDPOLB | |
| SCHEMBL6295571 | 0.87 | MMP13 (0.56) | MMP13SLC22A8ALDH1A1HPGDPOLB | |
| SCHEMBL6433714 | 0.87 | PPARG (0.55) | MMP13ALDH1A1PPARGRXFP1KDM4E | |
| SCHEMBL6256740 | 0.84 | MMP13 (0.51) | MMP13SLC22A8ALDH1A1HPGDPOLB | |
| SCHEMBL7104026 | 0.83 | MMP13 (0.48) | MMP13SLC22A8ALDH1A1HPGDPOLB | |
| SCHEMBL7104020 | 0.83 | MMP13 (0.48) | MMP13SLC22A8ALDH1A1HPGDPOLB | |
| SCHEMBL6468114 | 0.82 | MMP13 (0.67) | MMP13SLC22A8MAPT | |
| SCHEMBL7100732 | 0.81 | PIK3CD (0.51) | MMP13SLC22A8ALDH1A1L3MBTL1KDM4E | |
| SCHEMBL6727453 | 0.80 | MAPT (0.50) | MMP13ALDH1A1POLBPPARGRXFP1 | |
| SCHEMBL6724659 | 0.79 | PPARG (0.53) | MMP13ALDH1A1PPARGRXFP1KDM4E |
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-1530467-A2 | COMBINATION OF AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB | Warner-Lambert Company LLC (US) | 2005-05-18 | — | — | EP | disclosed |
| WO-2004006912-A2 | COMBINATION OF AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB | WARNER-LAMBERT COMPANY LLC (US) | 2004-01-22 | — | — | WO | disclosed |