Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | ACLY | P53396 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | ELANE | P08246 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7024957 | 0.84 | PTGS2 (0.49) | PTGS2 | |
| SCHEMBL5709000 | 0.82 | PTGS2 (0.59) | PTGS2 | |
| SCHEMBL7154383 | 0.82 | MAOA (0.41) | MAOAMAOBACLYNPC1RAB9A | |
| SCHEMBL7022294 | 0.79 | PTGS2 (0.45) | PTGS2 | |
| SCHEMBL7029451 | 0.78 | PTGS1 (0.43) | PTGS2 | |
| SCHEMBL7259908 | 0.75 | PTGS2 (0.46) | RAB9APTGS2 | |
| SCHEMBL7108266 | 0.74 | PTGS2 (0.45) | MAOAMAOBACLYPTGS2 | |
| SCHEMBL7154386 | 0.73 | MAOA (0.38) | MAOAMAOBACLYNPC1RAB9A | |
| SCHEMBL7028615 | 0.72 | RAB9A (0.41) | MAOBRAB9APTGS2 | |
| SCHEMBL8423037 | 0.71 | PTGS2 (0.51) | PTGS2 |
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 |