Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 8/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 1/20 | 0.35 |
| ▸ | CCR2 | P41597 | 1/20 | 0.35 |
| ▸ | EP300 | Q09472 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.34 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4434611 | 0.92 | P2RX7 (0.41) | P2RX7EPHX2CYP2C9CYP2C19CYP2J2 | |
| SCHEMBL4441204 | 0.92 | P2RX7 (0.41) | P2RX7EPHX2CYP2C9CYP2C19CYP2J2 | |
| SCHEMBL4433559 | 0.87 | P2RX7 (0.41) | P2RX7EP300KCNK3TRPV1 | |
| SCHEMBL4438596 | 0.87 | P2RX7 (0.41) | P2RX7EP300KCNK3TRPV1 | |
| SCHEMBL4441632 | 0.87 | P2RX7 (0.41) | P2RX7EPHX2CYP2C9CYP2C19CYP2J2 | |
| SCHEMBL4432133 | 0.86 | P2RX7 (0.41) | P2RX7ROCK2EP300TRPV1 | |
| SCHEMBL4432125 | 0.86 | P2RX7 (0.41) | P2RX7ROCK2EP300TRPV1 | |
| SCHEMBL4429693 | 0.85 | P2RX7 (0.45) | P2RX7EPHX2CYP2C9CYP2C19CYP2J2 | |
| SCHEMBL4428035 | 0.85 | P2RX7 (0.45) | P2RX7EPHX2CYP2C9CYP2C19CYP2J2 | |
| SCHEMBL4440233 | 0.84 | PDE4A (0.42) | P2RX7 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2114867-A1 | AMINOAMIDES AS OREXIN ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2009-11-11 | — | — | EP | disclosed |
| WO-2008107335-A1 | AMINOAMIDES AS OREXIN ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-09-12 | — | — | WO | disclosed |