Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.37 |
| ▸ | CA1 | P00915 | 4/20 | 0.37 |
| ▸ | CA2 | P00918 | 4/20 | 0.37 |
| ▸ | CA9 | Q16790 | 4/20 | 0.37 |
| ▸ | COMT | P21964 | 1/20 | 0.36 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 3/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13628740 | 0.73 | IDO1 (0.38) | COMTIDO1KDM4EENPP2ALDH1A1 | |
| SCHEMBL13628732 | 0.72 | CA12 (0.36) | CA12CA1CA2CA9PIK3CG | |
| SCHEMBL3744556 | 0.68 | IDO1 (0.50) | COMTIDO1PPARAKDM4EENPP2 | |
| SCHEMBL13628709 | 0.66 | ALOX5 (0.36) | IDO1PPARAENPP2ALDH1A1 | |
| SCHEMBL13628749 | 0.65 | CA12 (0.37) | CA12CA1CA2CA9PIK3CG | |
| SCHEMBL3180547 | 0.63 | ALDH1A1 (0.52) | IDO1KDM4EENPP2ALDH1A1 | |
| SCHEMBL13484011 | 0.63 | CA12 (0.41) | CA12CA1CA2CA9PIK3CG | |
| SCHEMBL9284900 | 0.61 | CA12 (0.61) | CA12CA1CA2CA9LRRK2 | |
| SCHEMBL344598 | 0.61 | ALOX15 (0.59) | CA12CA1CA2CA9LRRK2 | |
| SCHEMBL13484033 | 0.60 | FAAH (0.41) | CA12CA1CA2CA9PIK3CG |
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 |