Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 19/20 | 0.70 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.70 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Sc-57666 SCHEMBL213008 | 0.82 | PTGS2 (1.00) | PTGS2PTGS1 | |
| SCHEMBL6468323 | 0.79 | PTGS2 (0.71) | PTGS2PTGS1 | |
| SCHEMBL27762229 | 0.78 | PTGS2 (0.61) | PTGS2PTGS1 | |
| SCHEMBL7113770 | 0.76 | PTGS2 (0.65) | PTGS2PTGS1MAPK14 | |
| SCHEMBL8654672 | 0.74 | PTGS2 (0.63) | PTGS2PTGS1MAPK14 | |
| SCHEMBL8870727 | 0.74 | PTGS2 (0.72) | PTGS2PTGS1 | |
| SCHEMBL7865484 | 0.72 | PTGS2 (0.71) | PTGS2PTGS1MAPK14 | |
| SCHEMBL8652113 | 0.71 | PTGS2 (0.71) | PTGS2PTGS1 | |
| SCHEMBL214185 | 0.71 | PTGS2 (1.00) | PTGS2PTGS1 | |
| Sulfamide SCHEMBL4638294 | 0.71 | PTGS2 (0.70) | PTGS2PTGS1MAPK14 |
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-1670417-A2 | COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR ADMINISTERED UNDER HYPOTHERMIC CONDITIONS FOR THE TREATMENT OF ISCHENIC MEDIATED CENTRAL NERVOUS SYSTEM DISORDERS OR INJURY | Pharmacia Corporation (US) | 2006-06-21 | — | — | EP | disclosed |
| WO-2005037193-A2 | COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR ADMINISTERED UNDER HYPOTHERMIC CONDITIONS FOR THE TREATMENT OF ISCHEMIC MEDIATED CENTRAL NERVOUS SYSTEM DISORDERS OR INJURY | PHARMACIA CORPORATION (US) | 2005-04-28 | — | — | WO | disclosed |