Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.34 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13628747 | 0.77 | MAPT (0.41) | PTGS1PTGS2 | |
| SCHEMBL13628728 | 0.72 | NOTUM (0.31) | — | |
| SCHEMBL13628700 | 0.69 | ALOX5 (0.36) | ALOX5PTGS1PTGS2CHRM2CHRM4 | |
| SCHEMBL13628709 | 0.66 | ALOX5 (0.36) | ALOX5PTGS1PTGS2CHRM2CHRM4 | |
| SCHEMBL13628723 | 0.66 | CYP2D6 (0.34) | PTGS2CYP1A2CYP2E1CYP2C8CYP2D6 | |
| SCHEMBL45858 | 0.65 | — | — | |
| SCHEMBL805141 | 0.62 | CYP2C19 (0.64) | ALOX5PTGS1PTGS2CYP1A2CYP2E1 | |
| SCHEMBL13411815 | 0.61 | POLB (0.33) | CYP3A4 | |
| SCHEMBL13766598 | 0.61 | TGFBR1 (0.33) | — | |
| SCHEMBL10050008 | 0.61 | ALDH1A1 (0.57) | ALOX5PTGS1PTGS2CHRM2CHRM4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7612070-B2 | Heterocyclic compounds as antiinflammatory agents and cyclooxygenase inhibitors | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2009-11-03 | — | — | US | disclosed |
| US-7612070-B2 | Heterocyclic compounds as antiinflammatory agents and cyclooxygenase inhibitors | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2009-11-03 | — | — | US | disclosed |