Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 7/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.47 |
| ▸ | CA2 | P00918 | 5/20 | 0.42 |
| ▸ | CNR1 | P21554 | 4/20 | 0.42 |
| ▸ | CA1 | P00915 | 4/20 | 0.42 |
| ▸ | CA7 | P43166 | 4/20 | 0.42 |
| ▸ | CA12 | O43570 | 3/20 | 0.42 |
| ▸ | CA9 | Q16790 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | CHUK | O15111 | 2/20 | 0.38 |
| ▸ | IKBKB | O14920 | 1/20 | 0.37 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | TTK | P33981 | 1/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8086268 | 0.91 | PTGS2 (0.57) | PTGS2PTGS1CNR1CHUKIKBKB | |
| SCHEMBL8094646 | 0.91 | PTGS2 (0.42) | PTGS2PTGS1CA2CNR1CA1 | |
| SCHEMBL8087099 | 0.90 | PTGS2 (0.48) | PTGS2PTGS1CA2CNR1CA1 | |
| SCHEMBL8094547 | 0.89 | PTGS2 (0.60) | PTGS2PTGS1CA2CNR1CA1 | |
| SCHEMBL8095632 | 0.86 | PTGS2 (0.56) | PTGS2PTGS1CA2CNR1CA1 | |
| SCHEMBL8093748 | 0.86 | KDM4E (0.43) | PTGS2PTGS1CA2CNR1CA1 | |
| SCHEMBL8092530 | 0.86 | PTGS2 (0.55) | PTGS2PTGS1CA2CNR1CA1 | |
| SCHEMBL8095681 | 0.85 | CA2 (0.51) | PTGS2PTGS1CA2CNR1CA1 | |
| SCHEMBL8086798 | 0.85 | PTGS2 (0.44) | PTGS2PTGS1CA2CNR1CA1 | |
| SCHEMBL8095136 | 0.84 | PTGS2 (0.66) | PTGS2PTGS1CA2CNR1CA1 |
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 |