Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 5/20 | 0.44 |
| ▸ | CASR | P41180 | 1/20 | 0.40 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 4/20 | 0.39 |
| ▸ | PPARD | Q03181 | 3/20 | 0.39 |
| ▸ | MTTP | P55157 | 4/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 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 | |
|---|---|---|---|---|
| SCHEMBL1581115 | 0.93 | TACR1 (0.45) | TACR1CASRPTGDR2KDM4EALDH1A1 | |
| SCHEMBL1581344 | 0.91 | TACR1 (0.44) | TACR1CASRPTGDR2KDM4EALDH1A1 | |
| SCHEMBL1581148 | 0.90 | TACR1 (0.43) | TACR1CASRPTGDR2KDM4EALDH1A1 | |
| SCHEMBL1581617 | 0.89 | KDM4E (0.49) | TACR1CASRKDM4EALDH1A1PPARA | |
| SCHEMBL1581169 | 0.89 | TACR1 (0.43) | TACR1CASRPTGDR2KDM4EALDH1A1 | |
| SCHEMBL1581363 | 0.87 | TACR1 (0.51) | TACR1MTTPSLC6A9 | |
| SCHEMBL1581462 | 0.86 | TACR1 (0.51) | TACR1CASRPTGDR2KDM4EALDH1A1 | |
| SCHEMBL1582353 | 0.86 | TACR1 (0.44) | TACR1CASRPTGDR2KDM4EALDH1A1 | |
| SCHEMBL1581393 | 0.86 | TACR1 (0.51) | TACR1CASRPTGDR2KDM4EALDH1A1 | |
| SCHEMBL1581484 | 0.86 | TACR1 (0.44) | TACR1PPARAPPARDPPARGSLC6A9 |
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 |
|---|---|---|---|---|---|---|---|
| US-7501541-B2 | Malonamides as orexin antagonists | HOFFMANN-LA ROCHE INC. (US) | 2009-03-10 | — | — | US | disclosed |
| US-7501541-B2 | Malonamides as orexin antagonists | HOFFMANN-LA ROCHE INC. (US) | 2009-03-10 | — | — | US | disclosed |