Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 9/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.45 |
| ▸ | ACLY | P53396 | 2/20 | 0.39 |
| ▸ | LOX | P28300 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7154386 | 0.81 | MAOA (0.38) | ACLY | |
| SCHEMBL5709000 | 0.74 | PTGS2 (0.59) | PTGS2PTGS1 | |
| SCHEMBL5708943 | 0.69 | PTGS2 (0.58) | PTGS2 | |
| SCHEMBL17205245 | 0.67 | PTGS2 (0.59) | PTGS2PTGS1CA12CA1CA2 | |
| SCHEMBL8423019 | 0.67 | PTGS2 (0.63) | PTGS2PTGS1LOXCA12CA1 | |
| SCHEMBL4940447 | 0.67 | PTGS2 (0.59) | PTGS2PTGS1 | |
| SCHEMBL7104819 | 0.67 | PTGS2 (0.49) | PTGS2PTGS1LOX | |
| SCHEMBL15650181 | 0.66 | PTGS2 (0.58) | PTGS2PTGS1LOXCA12CA1 | |
| SCHEMBL28111372 | 0.66 | PTGS2 (0.58) | PTGS2PTGS1 | |
| SCHEMBL7257843 | 0.66 | PTGS2 (0.56) | PTGS2PTGS1 |
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-1299372-A1 | PYRONES AS INHIBITORS OF CYCLOOXYGENASE-2 | MERCK FROSST CANADA INC. (CA) | 2003-04-09 | — | — | EP | disclosed |
| WO-2002002547-A1 | PYRONES AS INHIBITORS OF CYCLOOXYGENASE-2 | MERCK FROSST CANADA & CO. (CA) | 2002-01-10 | — | — | WO | disclosed |