Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 10/20 | 0.52 |
| ▸ | CNR2 | P34972 | 4/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | MAPK14 | Q16539 | 5/20 | 0.43 |
| ▸ | MAPK13 | O15264 | 3/20 | 0.43 |
| ▸ | MAPK12 | P53778 | 3/20 | 0.43 |
| ▸ | MAPK11 | Q15759 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | GCGR | P47871 | 4/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | RET | P07949 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 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 | |
|---|---|---|---|---|
| SCHEMBL8776847 | 0.87 | CNR1 (0.52) | CNR1CNR2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8100978 | 0.86 | CNR1 (0.47) | CNR1CNR2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8085631 | 0.85 | CNR1 (0.52) | CNR1CNR2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL2932218 | 0.83 | CNR1 (0.49) | CNR1CNR2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8087025 | 0.81 | PTGS2 (0.54) | PTGS1 | |
| SCHEMBL2935037 | 0.79 | MAPK14 (0.47) | CNR1CNR2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8776749 | 0.79 | PTGS2 (0.47) | CNR1CNR2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL19835709 | 0.78 | CNR1 (0.55) | CNR1CNR2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8092441 | 0.78 | CNR1 (0.50) | CNR1CNR2MAPK14MAPK13MAPK12 | |
| SCHEMBL13498508 | 0.75 | NPSR1 (0.69) | CNR1CNR2CYP1A2CYP2C9CYP2C19 |
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 |
| US-5916905-A | ANTIARTHRITIC AGENTS; ANALGESICS; ANTIPYRETICS | G. D. SEARLE & CO. (US) | 1999-06-29 | — | — | US | disclosed |
| US-5686470-A | 2, 3-substituted pyridines for the treatment of inflammation | WEIER RICHARD M (US) | 1997-11-11 | — | — | US | disclosed |