Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 6/20 | 0.34 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13628716 | 0.77 | COMT (0.36) | COMTALDH1A1GAAIDO1ENPP2 | |
| SCHEMBL10442596 | 0.73 | HCAR2 (0.46) | NPSR1CYP11B1CYP11B2HCAR2 | |
| SCHEMBL13628736 | 0.72 | NPSR1 (0.33) | NPSR1CYP11B1CYP11B2HCAR2 | |
| SCHEMBL18410397 | 0.71 | SMPD3 (0.38) | NPSR1CYP11B1CYP11B2HCAR2 | |
| SCHEMBL3744556 | 0.68 | IDO1 (0.50) | COMTALDH1A1IDO1ENPP2KDM4E | |
| SCHEMBL20175445 | 0.66 | HCAR2 (0.40) | NPSR1CYP11B1CYP11B2HCAR2KDM4E | |
| SCHEMBL13628752 | 0.65 | NPSR1 (0.34) | NPSR1CYP11B1CYP11B2HCAR2 | |
| SCHEMBL17289787 | 0.63 | ADORA2A (0.35) | — | |
| SCHEMBL4031086 | 0.63 | POLB (0.48) | ALDH1A1GAAIDO1ENPP2KDM4E | |
| SCHEMBL10442133 | 0.63 | NPC1 (0.39) | NPSR1CYP11B1CYP11B2ALDH1A1HCAR2 |
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 |