Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 3/20 | 0.47 |
| ▸ | CA9 | Q16790 | 9/20 | 0.45 |
| ▸ | CA2 | P00918 | 8/20 | 0.45 |
| ▸ | CA1 | P00915 | 7/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
| ▸ | LDHA | P00338 | 2/20 | 0.43 |
| ▸ | LDHB | P07195 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 4/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | TTK | P33981 | 2/20 | 0.41 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.41 |
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8086926 | 0.92 | PTGS2 (0.52) | CNR1PTGS1PTGS2MAPK8CNR2 | |
| SCHEMBL8086798 | 0.89 | PTGS2 (0.44) | CNR1CA9CA2CA1CA5A | |
| SCHEMBL8094646 | 0.88 | PTGS2 (0.42) | CNR1CA9CA2CA1CA12 | |
| SCHEMBL8095681 | 0.86 | CA2 (0.51) | CNR1CA9CA2CA1CA12 | |
| SCHEMBL8094362 | 0.85 | PTGS2 (0.59) | CA9CA2CA1CA4CA5A | |
| SCHEMBL8087099 | 0.85 | PTGS2 (0.48) | CNR1CA9CA2CA1CA12 | |
| SCHEMBL8092716 | 0.85 | PTGS2 (0.51) | CNR1PTGS1PTGS2CDK2 | |
| SCHEMBL8092693 | 0.85 | PTGS2 (0.50) | CNR1PTGS1PTGS2CNR2 | |
| SCHEMBL8094547 | 0.84 | PTGS2 (0.60) | CNR1CA9CA2CA1CA12 | |
| SCHEMBL8098696 | 0.83 | PTGS2 (0.47) | CNR1CA9CA2CA1CA5A |
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 |