Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.31 |
| ▸ | LOX | P28300 | 1/20 | 0.31 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.31 |
| ▸ | CDK4 | P11802 | 1/20 | 0.30 |
| ▸ | CCND1 | P24385 | 1/20 | 0.30 |
| ▸ | CDK2 | P24941 | 1/20 | 0.30 |
| ▸ | DAO | P14920 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6237217 | 0.77 | MMP13 (0.36) | — | |
| SCHEMBL6477603 | 0.76 | LOX (0.31) | LOXLOXL2 | |
| SCHEMBL6234429 | 0.76 | LOX (0.31) | LOXLOXL2 | |
| SCHEMBL6232535 | 0.74 | MMP13 (0.36) | LOXLOXL2 | |
| SCHEMBL6258139 | 0.73 | TRPA1 (0.39) | — | |
| SCHEMBL6258372 | 0.70 | FFAR1 (0.34) | LOXLOXL2 | |
| SCHEMBL6296263 | 0.64 | MMP13 (0.60) | — | |
| SCHEMBL6296207 | 0.64 | MMP13 (0.53) | — | |
| SCHEMBL6231728 | 0.64 | MMP13 (0.49) | — | |
| SCHEMBL6487927 | 0.63 | CYP3A4 (0.39) | — |
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-1534274-A1 | COMBINATION OF AN ALLOSTERIC ALKYNE INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB | Warner-Lambert Company LLC (US) | 2005-06-01 | — | — | EP | disclosed |
| WO-2004006914-A1 | COMBINATION OF AN ALLOSTERIC ALKYNE INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB | WARNER-LAMBERT COMPANY LLC (US) | 2004-01-22 | — | — | WO | disclosed |