Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Almorexant. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 known ✓ | O43613 | 18/20 | 0.98 |
| ▸ | HCRTR2 known ✓ | O43614 | 18/20 | 0.98 |
| ▸ | MTNR1B | P49286 | 2/20 | 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 | |
|---|---|---|---|---|
| Almorexant SCHEMBL29520113 | 1.00 | HCRTR1 (0.98) | HCRTR1HCRTR2MTNR1B | |
| Almorexant SCHEMBL1935015 | 1.00 | HCRTR1 (0.98) | HCRTR1HCRTR2MTNR1B | |
| Almorexant SCHEMBL3086940 | 1.00 | HCRTR1 (0.98) | HCRTR1HCRTR2MTNR1B | |
| Almorexant SCHEMBL2953482 | 0.99 | HCRTR1 (1.00) | HCRTR1HCRTR2MTNR1B | |
| Almorexant SCHEMBL4147342 | 0.99 | HCRTR1 (1.00) | HCRTR1HCRTR2MTNR1B | |
| Almorexant SCHEMBL3088054 | 0.99 | HCRTR1 (1.00) | HCRTR1HCRTR2MTNR1B | |
| Almorexant SCHEMBL29376949 | 0.99 | HCRTR1 (1.00) | HCRTR1HCRTR2MTNR1B | |
| Almorexant SCHEMBL196577 | 0.99 | HCRTR1 (1.00) | HCRTR1HCRTR2MTNR1B | |
| Almorexant SCHEMBL21018760 | 0.99 | HCRTR1 (1.00) | HCRTR1HCRTR2MTNR1B | |
| Almorexant SCHEMBL3799947 | 0.95 | HCRTR1 (0.88) | HCRTR1HCRTR2MTNR1B |
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-2011063773-A2 | CRYSTALLINE AND AMORPHOUS FORMS OF ALMOREXANT AND A METHOD OF THEIR PREPARATION | ZENTIVA, K.S. (CZ) | 2011-06-03 | — | — | WO | disclosed |