Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 13/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.52 |
| ▸ | CA12 | O43570 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | CHUK | O15111 | 2/20 | 0.46 |
| ▸ | IKBKB | O14920 | 1/20 | 0.46 |
| ▸ | MAP2K7 | O14733 | 1/20 | 0.44 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8099650 | 0.88 | PTGS2 (0.50) | PTGS2PTGS1CA12CA1CA2 | |
| SCHEMBL8095222 | 0.88 | PTGS2 (0.53) | PTGS2PTGS1 | |
| SCHEMBL8093195 | 0.85 | PTGS2 (0.47) | PTGS2PTGS1CA12CA1CA2 | |
| SCHEMBL8094384 | 0.82 | MAPK13 (0.47) | PTGS2PTGS1CA12CA1CA2 | |
| SCHEMBL8094551 | 0.82 | CNR1 (0.49) | PTGS2PTGS1CA12CA1CA2 | |
| SCHEMBL8519868 | 0.82 | TRPV1 (0.42) | PTGS2PTGS1CA12CA1CA2 | |
| SCHEMBL8086461 | 0.81 | CNR1 (0.61) | PTGS2PTGS1CA12CA1CA2 | |
| SCHEMBL8093245 | 0.81 | ALDH1A1 (0.45) | PTGS2PTGS1CA12CA1CA2 | |
| SCHEMBL8094547 | 0.80 | PTGS2 (0.60) | PTGS2PTGS1CA12CA1CA2 | |
| SCHEMBL8085721 | 0.80 | CNR1 (0.48) | PTGS2PTGS1CA12CA1CA2 |
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-0808304-B1 | 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION | SEARLE & CO (US) | 2000-12-27 | — | — | EP | claimed |
| EP-0808304-B1 | 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION | SEARLE & CO (US) | 2000-12-27 | — | — | EP | disclosed |
| EP-0808304-A1 | 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1997-11-26 | — | — | EP | disclosed |
| WO-1996024584-A1 | 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-08-15 | — | — | WO | disclosed |