Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 19/20 | 0.78 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.52 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6659501 | 0.91 | PTGS2 (0.65) | PTGS2PTGS1PTGDR2 | |
| SCHEMBL6658251 | 0.90 | PTGS2 (0.64) | PTGS2PTGS1PTGDR2 | |
| SCHEMBL6656801 | 0.90 | PTGS2 (0.63) | PTGS2PTGS1PTGDR2 | |
| SCHEMBL6664476 | 0.90 | PTGS2 (0.63) | PTGS2PTGS1PTGDR2 | |
| SCHEMBL6662707 | 0.89 | PTGS2 (0.64) | PTGS2PTGS1PTGDR2 | |
| SCHEMBL6660522 | 0.89 | PTGS2 (0.62) | PTGS2PTGS1PTGDR2 | |
| SCHEMBL6658868 | 0.88 | PTGS2 (1.00) | PTGS2PTGS1 | |
| SCHEMBL6662781 | 0.85 | PTGS2 (0.58) | PTGS2PTGS1PTGDR2 | |
| SCHEMBL6675629 | 0.85 | PTGS2 (0.61) | PTGS2PTGS1PTGDR2 | |
| SCHEMBL6660825 | 0.85 | PTGS2 (0.60) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1012142-B1 | 2,3,5-TRISUBSTITUTED PYRIDINES AS INHIBITORS OF CYCLOOXYGENASE-2 | MERCK FROSST CANADA INC (CA) | 2004-08-11 | — | — | EP | claimed |
| US-6046217-A | TREATING AN INFLAMMATORY DISEASE SUSCEPTIBLE TO TREATMENT WITH A NON-STEROIDAL ANTI-INFLAMMATORY AGENT COMPRISING ADMINISTERING TO A PATIENT IN NEED OF SUCH TREATMENT A NONTOXIC 3-PHENYL SUBSTITUTED PYRIDINES | MERCK FROSST CANADA & CO. (CA) | 2000-04-04 | — | — | US | claimed |
| EP-1012142-B1 | 2,3,5-TRISUBSTITUTED PYRIDINES AS INHIBITORS OF CYCLOOXYGENASE-2 | MERCK FROSST CANADA INC (CA) | 2004-08-11 | — | — | EP | disclosed |
| US-6046217-A | TREATING AN INFLAMMATORY DISEASE SUSCEPTIBLE TO TREATMENT WITH A NON-STEROIDAL ANTI-INFLAMMATORY AGENT COMPRISING ADMINISTERING TO A PATIENT IN NEED OF SUCH TREATMENT A NONTOXIC 3-PHENYL SUBSTITUTED PYRIDINES | MERCK FROSST CANADA & CO. (CA) | 2000-04-04 | — | — | US | disclosed |