Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 8/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | TRPV3 | Q8NET8 | 5/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | PPARD | Q03181 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4433937 | 0.90 | NR1I2 (0.38) | P2RX7NR1I2CYP2C9TRPV3CYP3A4 | |
| SCHEMBL4434673 | 0.86 | P2RX7 (0.42) | P2RX7CYP3A4 | |
| SCHEMBL4441650 | 0.84 | PDE10A (0.41) | P2RX7TRPV3 | |
| SCHEMBL4433866 | 0.84 | P2RX7 (0.42) | P2RX7CYP3A4 | |
| SCHEMBL4440442 | 0.83 | KCNN4 (0.38) | P2RX7TRPV3CYP3A4 | |
| SCHEMBL4441486 | 0.82 | NR1I2 (0.40) | P2RX7NR1I2CYP2C9TRPV3CYP3A4 | |
| SCHEMBL4432365 | 0.82 | AKR1C3 (0.43) | PPARD | |
| SCHEMBL4440473 | 0.82 | HDAC4 (0.43) | P2RX7CYP3A4 | |
| SCHEMBL4435119 | 0.82 | KCNQ3 (0.41) | HDAC3HDAC1HDAC2HDAC6MAPK1 | |
| SCHEMBL4435714 | 0.81 | PDE10A (0.41) | P2RX7NR1I2CYP2C9TRPV3PPARD |
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 |