Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 5/20 | 0.58 |
| ▸ | HCRTR2 | O43614 | 5/20 | 0.58 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.50 |
| ▸ | GBA1 | P04062 | 5/20 | 0.47 |
| ▸ | HTR3A | P46098 | 1/20 | 0.45 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13208607 | 0.85 | HCRTR1 (0.61) | HCRTR1HCRTR2HCAR2GBA1HTR3A | |
| SCHEMBL8218996 | 0.84 | HCRTR2 (0.79) | HCRTR1HCRTR2HCAR2GBA1 | |
| SCHEMBL8217485 | 0.81 | HCRTR1 (0.59) | HCRTR1HCRTR2HCAR2GBA1HTR3A | |
| SCHEMBL6228735 | 0.77 | HCAR2 (0.59) | HCRTR1HCRTR2HCAR2GBA1HTR3A | |
| SCHEMBL8221570 | 0.77 | HCRTR2 (0.58) | HCRTR1HCRTR2HCAR2GBA1HTR3A | |
| SCHEMBL4328813 | 0.74 | HCRTR2 (1.00) | HCRTR1HCRTR2 | |
| SCHEMBL4313327 | 0.73 | HCRTR2 (0.60) | HCRTR1HCRTR2HCAR2GBA1HTR3A | |
| SCHEMBL30824484 | 0.73 | HTR3A (0.73) | HCRTR1HCRTR2HCAR2HTR3AHRH4 | |
| SCHEMBL20993535 | 0.71 | HCRTR2 (0.62) | HCRTR1HCRTR2HCAR2GBA1HTR3A | |
| SCHEMBL29648042 | 0.70 | HTR3A (0.73) | HCRTR1HCRTR2HCAR2HTR3AHRH4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008008518-A1 | SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2008-01-17 | — | — | WO | disclosed |