Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | CCR2 | P41597 | 6/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.39 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.38 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | EP300 | Q09472 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | MTOR | P42345 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4436222 | 1.00 | KDM4E (0.40) | KDM4ECCR2ALDH1A1CTDSP1HCRTR1 | |
| SCHEMBL4430416 | 0.89 | CNR1 (0.48) | ALDH1A1SLC6A2SLC6A4EP300GAA | |
| SCHEMBL4432975 | 0.89 | CNR1 (0.48) | ALDH1A1SLC6A2SLC6A4EP300GAA | |
| SCHEMBL4436216 | 0.88 | KMT2A (0.44) | KDM4ECCR2ALDH1A1CTDSP1HCRTR1 | |
| SCHEMBL4429386 | 0.88 | KMT2A (0.44) | KDM4ECCR2ALDH1A1CTDSP1HCRTR1 | |
| SCHEMBL4438661 | 0.85 | KDM4E (0.45) | KDM4ECCR2ALDH1A1CTDSP1EP300 | |
| SCHEMBL4440273 | 0.85 | KDM4E (0.45) | KDM4ECCR2ALDH1A1CTDSP1EP300 | |
| SCHEMBL4433693 | 0.85 | KDM4E (0.49) | KDM4ECCR2ALDH1A1CTDSP1SLC6A2 | |
| SCHEMBL4431735 | 0.85 | KDM4E (0.49) | KDM4ECCR2ALDH1A1CTDSP1SLC6A2 | |
| SCHEMBL4434954 | 0.84 | CNR1 (0.54) | KDM4EALDH1A1SLC6A2SLC6A4MAPT |
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 |