Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 20/20 | 0.62 |
| ▸ | HCRTR2 | O43614 | 20/20 | 0.62 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL22729371 | 1.00 | HCRTR1 (0.62) | HCRTR1HCRTR2KCNH2 | |
| SCHEMBL20859727 | 1.00 | HCRTR1 (0.62) | HCRTR1HCRTR2KCNH2 | |
| SCHEMBL2116797 | 0.77 | HCRTR1 (1.00) | HCRTR1HCRTR2KCNH2 | |
| SCHEMBL2118675 | 0.77 | HCRTR1 (1.00) | HCRTR1HCRTR2KCNH2 | |
| SCHEMBL22666162 | 0.76 | FFAR4 (0.43) | HCRTR1HCRTR2KCNH2 | |
| SCHEMBL10266354 | 0.76 | HCRTR1 (1.00) | HCRTR1HCRTR2KCNH2 | |
| SCHEMBL2610611 | 0.76 | HCRTR1 (0.87) | HCRTR1HCRTR2KCNH2 | |
| SCHEMBL16638939 | 0.76 | HCRTR1 (1.00) | HCRTR1HCRTR2KCNH2 | |
| SCHEMBL22729373 | 0.75 | GRM5 (0.39) | HCRTR1HCRTR2KCNH2 | |
| SCHEMBL2610676 | 0.75 | HCRTR1 (0.69) | HCRTR1HCRTR2KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021145373-A1 | DRUG SUBSTANCE OF LEMBOREXANT AND MEDICINAL COMPOSITION COMPRISING SAME | エーザイ・アール・アンド・ディー・マネジメント株式会社 | 2021-07-22 | — | — | WO | disclosed |
| WO-2020230800-A1 | METHOD AND COMPOUND USEFUL IN PREPARATION OF OREXIN-2 RECEPTOR ANTAGONIST, AND LEMBOREXANT HAVING FEW IMPURITIES | エーザイ・アール・アンド・ディー・マネジメント株式会社 | 2020-11-19 | — | — | WO | disclosed |