Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 16/20 | 0.72 |
| ▸ | PTGS1 | P23219 | 8/20 | 0.72 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | MMP8 | P22894 | 1/20 | 0.46 |
| ▸ | MMP13 | P45452 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL12883762 | 0.85 | PKM (0.57) | PTGS2PTGS1KDM4EALDH1A1MMP8 | |
| SCHEMBL213353 | 0.84 | PTGS2 (1.00) | PTGS2PTGS1 | |
| SCHEMBL6708168 | 0.83 | PKM (0.64) | ALDH1A1MMP8MMP13 | |
| SCHEMBL8651545 | 0.83 | PTGS2 (1.00) | PTGS2PTGS1 | |
| SCHEMBL8993420 | 0.81 | PTGS2 (0.71) | PTGS2PTGS1 | |
| SCHEMBL7865484 | 0.81 | PTGS2 (0.71) | PTGS2PTGS1 | |
| SCHEMBL8993482 | 0.79 | PTGS2 (0.77) | PTGS2PTGS1 | |
| SCHEMBL2622585 | 0.79 | PTGS2 (0.68) | PTGS2PTGS1SLC6A3KDM4EALDH1A1 | |
| SCHEMBL8993358 | 0.76 | PTGS2 (0.44) | PTGS2PTGS1 | |
| SCHEMBL8993402 | 0.76 | PTGS2 (0.74) | PTGS2PTGS1SLC6A3 |
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-1572239-A1 | METHOD OF USING A COX-2 INHIBITOR AND A TOPOISOMERASE II INHIBITOR AS A COMBINATION THERAPY IN THE TREATMENT OF NEOPLASIA | Pharmacia Corporation (US) | 2005-09-14 | — | — | EP | disclosed |
| WO-2004058302-A1 | METHOD OF USING A COX-2 INHIBITOR AND A TOPOISOMERASE II INHIBITOR AS A COMBINATION THERAPY IN THE TREATMENT OF NEOPLASIA | PHARMACIA CORPORATION (US) | 2004-07-15 | — | — | WO | disclosed |