Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.45 |
| ▸ | CNR1 | P21554 | 5/20 | 0.44 |
| ▸ | CDK1 | P06493 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
| ▸ | AKT1 | P31749 | 1/20 | 0.43 |
| ▸ | AKT2 | P31751 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CHUK | O15111 | 2/20 | 0.40 |
| ▸ | IKBKB | O14920 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 3/20 | 0.40 |
| ▸ | CA9 | Q16790 | 3/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8098140 | 0.92 | CDK1 (0.46) | CA2CNR1CDK1KDRAKT1 | |
| SCHEMBL8086380 | 0.90 | CNR1 (0.45) | CNR1AKT1AKT2KDM4EPOLB | |
| SCHEMBL8093966 | 0.90 | CA2 (0.49) | CA2CNR1CDK1KDRAKT1 | |
| SCHEMBL8099377 | 0.88 | KDM4E (0.56) | CA2CNR1KDM4EPOLBCHUK | |
| SCHEMBL8087245 | 0.88 | KDM4E (0.51) | CA2CNR1AKT1AKT2KDM4E | |
| SCHEMBL8100868 | 0.88 | CA2 (0.51) | CA2CNR1KDM4EPOLBCHUK | |
| SCHEMBL8094021 | 0.88 | KDM4E (0.47) | CA2CNR1CDK1KDRAKT1 | |
| SCHEMBL8087526 | 0.88 | CNR1 (0.51) | CA2CNR1KDM4EPOLBCHUK | |
| SCHEMBL8095836 | 0.88 | KDM4E (0.45) | CA2CNR1CDK1KDRAKT1 | |
| SCHEMBL8092791 | 0.87 | PTGS2 (0.47) | CA2CNR1KDM4EPOLBCHUK |
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 |