Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.43 |
| ▸ | CDK1 | P06493 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | GLA | P06280 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 5/20 | 0.43 |
| ▸ | CA2 | P00918 | 5/20 | 0.43 |
| ▸ | CA7 | P43166 | 3/20 | 0.43 |
| ▸ | CA13 | Q8N1Q1 | 3/20 | 0.43 |
| ▸ | CA12 | O43570 | 3/20 | 0.42 |
| ▸ | CA4 | P22748 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8093657 | 0.91 | PTGS2 (0.56) | PTGS2PTGS1 | |
| SCHEMBL8095521 | 0.84 | CNR1 (0.52) | PTGS2PTGS1CDK1KDRCA1 | |
| SCHEMBL8093864 | 0.84 | CA9 (0.44) | PTGS2PTGS1CDK1KDRCA1 | |
| SCHEMBL8092536 | 0.83 | PTGS2 (0.43) | HTTPTGS2PTGS1CDK1KDR | |
| SCHEMBL8093987 | 0.83 | PTGS2 (0.48) | PTGS2PTGS1CDK1KDRCA1 | |
| SCHEMBL8094187 | 0.82 | CNR1 (0.50) | PTGS2CDK1KDRMAPTCA1 | |
| SCHEMBL8086911 | 0.82 | HPGD (0.45) | HPGDPTGS2PTGS1CDK1KDR | |
| SCHEMBL8099660 | 0.81 | MAPT (0.49) | HTTPTGS2PTGS1MAPTCA1 | |
| SCHEMBL8085724 | 0.81 | PTGS2 (0.51) | PTGS2PTGS1CDK1KDRCA1 | |
| SCHEMBL8093875 | 0.81 | CNR1 (0.64) | PTGS2PTGS1CA1CA2CA7 |
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 |