Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP13 | P45452 | 7/20 | 0.36 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 3/20 | 0.32 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.32 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.32 |
| ▸ | RHEB | Q15382 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | PPARG | P37231 | 1/20 | 0.30 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.30 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| SCHEMBL6853866 | 0.74 | MMP13 (0.44) | MMP13SLC22A8PTGER4POLBKDM4E | |
| SCHEMBL6266827 | 0.74 | MMP13 (0.45) | MMP13SLC22A8MAPK8MAPK9PTGER4 | |
| SCHEMBL6260796 | 0.67 | MMP13 (0.44) | MMP13SLC22A8 | |
| SCHEMBL6233054 | 0.66 | FFAR1 (0.43) | MMP13SLC22A8 | |
| SCHEMBL7035431 | 0.64 | MMP13 (0.48) | MMP13SLC22A8MEN1ALDH1A1KMT2A | |
| SCHEMBL6231783 | 0.64 | MMP13 (0.53) | MMP13 | |
| SCHEMBL6297941 | 0.62 | MMP13 (0.78) | MMP13SLC22A8 | |
| SCHEMBL6296011 | 0.62 | MMP13 (0.69) | MMP13SLC22A8 | |
| SCHEMBL6250624 | 0.62 | MMP13 (0.38) | MMP13ALDH1A1 | |
| SCHEMBL6233684 | 0.62 | MMP13 (0.49) | MMP13SLC22A8ALDH1A1 |
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 |