Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 14/20 | 0.75 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.66 |
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.56 |
| ▸ | IDO1 | P14902 | 2/20 | 0.52 |
| ▸ | TDO2 | P48775 | 1/20 | 0.45 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.44 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6662781 | 0.88 | PTGS2 (0.58) | PTGS2PTGS1PTGDR2 | |
| SCHEMBL6657716 | 0.87 | PTGS2 (0.80) | PTGS2PTGS1PTGDR2IDO1MAP4K4 | |
| SCHEMBL6659910 | 0.87 | PTGS2 (0.72) | PTGS2PTGS1PTGDR2IDO1TDO2 | |
| SCHEMBL6658868 | 0.84 | PTGS2 (1.00) | PTGS2PTGS1 | |
| SCHEMBL6659730 | 0.83 | PTGS2 (0.73) | PTGS2PTGS1PTGDR2IDO1MAP4K4 | |
| SCHEMBL6659721 | 0.83 | PTGS2 (0.77) | PTGS2PTGS1PTGDR2IDO1 | |
| SCHEMBL6659313 | 0.82 | PTGS2 (0.80) | PTGS2PTGS1PTGDR2 | |
| SCHEMBL6660838 | 0.82 | PTGS2 (0.72) | PTGS2PTGS1PTGDR2IDO1 | |
| SCHEMBL6659468 | 0.82 | PTGS2 (0.80) | PTGS2PTGS1PTGDR2IDO1 | |
| SCHEMBL6658864 | 0.82 | PTGS2 (0.83) | PTGS2PTGS1PTGDR2IDO1 |
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 | disclosed |
| EP-1012142-A1 | 2,3,5-TRISUBSTITUTED PYRIDINES AS INHIBITORS OF CYCLOOXYGENASE-2 | Merck Frosst Canada & Co. (CA) | 2000-06-28 | — | — | 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 |
| WO-1999014194-A1 | 2,3,5-TRISUBSTITUTED PYRIDINES AS INHIBITORS OF CYCLOOXYGENASE-2 | MERCK FROSST CANADA & CO. (CA) | 1999-03-25 | — | — | WO | disclosed |