Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 5/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.42 |
| ▸ | CNR1 | P21554 | 6/20 | 0.41 |
| ▸ | TTK | P33981 | 3/20 | 0.41 |
| ▸ | MAPK8 | P45983 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | CA7 | P43166 | 3/20 | 0.39 |
| ▸ | CA9 | Q16790 | 3/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | IKBKB | O14920 | 1/20 | 0.35 |
| ▸ | CHUK | O15111 | 1/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8086484 | 0.92 | PTGS2 (0.52) | PTGS2PTGS1CNR1MAPK8 | |
| SCHEMBL8098696 | 0.91 | PTGS2 (0.47) | PTGS2PTGS1CNR1TTKMAPK8 | |
| SCHEMBL8086798 | 0.89 | PTGS2 (0.44) | PTGS2PTGS1CNR1TTKMAPK8 | |
| SCHEMBL8093993 | 0.88 | CNR1 (0.47) | PTGS2PTGS1CNR1TTKMAPK8 | |
| SCHEMBL8093708 | 0.85 | PTGS2 (0.59) | PTGS2PTGS1CNR1CA1CA2 | |
| SCHEMBL8087099 | 0.85 | PTGS2 (0.48) | PTGS2PTGS1CNR1CA1CA2 | |
| SCHEMBL8094547 | 0.84 | PTGS2 (0.60) | PTGS2PTGS1CNR1CA1CA2 | |
| SCHEMBL8086268 | 0.82 | PTGS2 (0.57) | PTGS2PTGS1CNR1MAPK8IKBKB | |
| SCHEMBL8095632 | 0.81 | PTGS2 (0.56) | PTGS2PTGS1CNR1CA1CA2 | |
| SCHEMBL8092693 | 0.81 | PTGS2 (0.50) | PTGS2PTGS1CNR1 |
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 3 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 | 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 |