Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMARCA2 | P51531 | 2/20 | 0.42 |
| ▸ | SMARCA4 | P51532 | 2/20 | 0.42 |
| ▸ | P2RX7 | Q99572 | 13/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4429753 | 0.85 | P2RX7 (0.43) | P2RX7CYP3A4AKR1C3AKR1C2 | |
| SCHEMBL4434673 | 0.82 | P2RX7 (0.42) | P2RX7CYP3A4 | |
| SCHEMBL4434384 | 0.82 | P2RX7 (0.48) | P2RX7CYP3A4 | |
| SCHEMBL4433866 | 0.82 | P2RX7 (0.42) | P2RX7CYP3A4PTGS2 | |
| SCHEMBL4433937 | 0.81 | NR1I2 (0.38) | P2RX7CYP3A4 | |
| SCHEMBL4441805 | 0.80 | P2RX7 (0.42) | P2RX7CYP3A4PTGS2 | |
| SCHEMBL4440473 | 0.79 | HDAC4 (0.43) | P2RX7CYP3A4 | |
| SCHEMBL4428091 | 0.79 | P2RX7 (0.38) | P2RX7CYP3A4 | |
| SCHEMBL4430282 | 0.78 | PDE10A (0.46) | P2RX7AKR1C3AKR1C2 | |
| SCHEMBL4435291 | 0.77 | TRPV1 (0.45) | CYP3A4 |
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 |