Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 2/20 | 0.36 |
| ▸ | IDO1 | P14902 | 3/20 | 0.32 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | ENPP2 | Q13822 | 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 | |
|---|---|---|---|---|
| SCHEMBL13628708 | 0.75 | — | — | |
| SCHEMBL13628712 | 0.72 | COMT (0.36) | COMTIDO1ALDH1A1GAAENPP2 | |
| SCHEMBL21242190 | 0.67 | ALDH1A1 (0.46) | ALDH1A1GAAPOLB | |
| SCHEMBL3744556 | 0.65 | IDO1 (0.50) | COMTIDO1ALDH1A1ENPP2 | |
| SCHEMBL14819049 | 0.64 | LIMK1 (0.55) | ALDH1A1 | |
| SCHEMBL13977830 | 0.64 | LOXL2 (0.41) | ALDH1A1GAA | |
| SCHEMBL24958875 | 0.63 | CYP1A2 (0.41) | — | |
| SCHEMBL4031086 | 0.63 | POLB (0.48) | IDO1S1PR2ALDH1A1GAAPOLB | |
| SCHEMBL2822381 | 0.62 | — | — | |
| SCHEMBL127877 | 0.62 | — | — |
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 |