Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | CDK1 | P06493 | 2/20 | 0.46 |
| ▸ | KDR | P35968 | 2/20 | 0.46 |
| ▸ | ENPP3 | O14638 | 3/20 | 0.45 |
| ▸ | CNR1 | P21554 | 2/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 5/20 | 0.42 |
| ▸ | CA2 | P00918 | 5/20 | 0.42 |
| ▸ | CA9 | Q16790 | 5/20 | 0.42 |
| ▸ | CA12 | O43570 | 3/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | AKT1 | P31749 | 1/20 | 0.41 |
| ▸ | AKT2 | P31751 | 1/20 | 0.41 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | IKBKB | O14920 | 1/20 | 0.41 |
| ▸ | CHUK | O15111 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8087245 | 0.92 | KDM4E (0.51) | KDM4ECNR1CA1CA2CA9 | |
| SCHEMBL8085643 | 0.91 | PTGS2 (0.48) | KDM4ECDK1KDRCNR1ADORA2A | |
| SCHEMBL8087526 | 0.85 | CNR1 (0.51) | KDM4ECNR1CA1CA2CA9 | |
| SCHEMBL8094021 | 0.85 | KDM4E (0.47) | KDM4ECDK1KDRCNR1CA1 | |
| SCHEMBL8095836 | 0.85 | KDM4E (0.45) | KDM4ECDK1KDRCNR1ADORA2A | |
| SCHEMBL8099377 | 0.85 | KDM4E (0.56) | KDM4ECNR1CA1CA2CA9 | |
| SCHEMBL8100868 | 0.85 | CA2 (0.51) | KDM4ECNR1CA1CA2CA9 | |
| SCHEMBL8092791 | 0.84 | PTGS2 (0.47) | KDM4ECNR1CA1CA2CA9 | |
| SCHEMBL8093195 | 0.84 | PTGS2 (0.47) | KDM4ECNR1CA1CA2CA9 | |
| SCHEMBL8093748 | 0.83 | KDM4E (0.43) | KDM4ECDK1KDRCNR1CA1 |
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 |