Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 7/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | PPARD | Q03181 | 2/20 | 0.36 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | F9 | P00740 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4428091 | 0.90 | P2RX7 (0.38) | NR1I2CYP2C9P2RX7MAPK1PPARD | |
| SCHEMBL4433866 | 0.88 | P2RX7 (0.42) | P2RX7CYP3A4 | |
| SCHEMBL4434673 | 0.88 | P2RX7 (0.42) | P2RX7CYP3A4F9 | |
| SCHEMBL4435714 | 0.86 | PDE10A (0.41) | NR1I2CYP2C9P2RX7PPARDTRPV3 | |
| SCHEMBL4429753 | 0.83 | P2RX7 (0.43) | P2RX7CYP3A4 | |
| SCHEMBL4440473 | 0.82 | HDAC4 (0.43) | P2RX7CYP3A4GPR139 | |
| SCHEMBL4432335 | 0.81 | CES2 (0.41) | PPARDPPARA | |
| SCHEMBL4440188 | 0.81 | SMARCA2 (0.42) | P2RX7CYP3A4 | |
| SCHEMBL4430282 | 0.81 | PDE10A (0.46) | CYP2C9P2RX7MAPK1TRPV3 | |
| SCHEMBL4434384 | 0.81 | P2RX7 (0.48) | P2RX7CYP3A4 |
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 |