Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 12/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5795905 | 1.00 | PTGS2 (0.43) | PTGS2ESR2PTGS1 | |
| SCHEMBL3480240 | 0.85 | PTGS2 (0.40) | PTGS2ESR2PTGS1 | |
| SCHEMBL3480237 | 0.85 | PTGS2 (0.40) | PTGS2ESR2PTGS1 | |
| SCHEMBL4423118 | 0.85 | PTGS2 (0.40) | PTGS2ESR2PTGS1 | |
| SCHEMBL5807999 | 0.79 | PTGS2 (0.52) | PTGS2ESR2PTGS1 | |
| SCHEMBL3480153 | 0.79 | PTGS2 (0.52) | PTGS2ESR2PTGS1 | |
| SCHEMBL3480155 | 0.79 | PTGS2 (0.52) | PTGS2ESR2PTGS1 | |
| SCHEMBL3987438 | 0.77 | PTGS2 (0.48) | PTGS2ESR2 | |
| SCHEMBL3987432 | 0.77 | PTGS2 (0.48) | PTGS2ESR2 | |
| SCHEMBL5798677 | 0.76 | PTGS2 (0.45) | PTGS2ESR2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006044230-A1 | WATER SOLUBLE PRODRUGS OF COX-2 INHIBITORS | MERCK & CO., INC. (US) | 2006-04-27 | — | — | WO | disclosed |