Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 20/20 | 0.80 |
| ▸ | HCRTR2 | O43614 | 20/20 | 0.80 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL17644334 | 0.91 | HCRTR1 (0.84) | HCRTR1HCRTR2KCNH2 | |
| SCHEMBL1671265 | 0.89 | HCRTR1 (1.00) | HCRTR1HCRTR2 | |
| Seltorexant SCHEMBL22018191 | 0.88 | HCRTR1 (1.00) | HCRTR1HCRTR2KCNH2 | |
| Seltorexant SCHEMBL1671257 | 0.88 | HCRTR1 (1.00) | HCRTR1HCRTR2KCNH2 | |
| Seltorexant SCHEMBL29711733 | 0.88 | HCRTR1 (1.00) | HCRTR1HCRTR2KCNH2 | |
| Seltorexant SCHEMBL29614942 | 0.88 | HCRTR1 (1.00) | HCRTR1HCRTR2KCNH2 | |
| Seltorexant SCHEMBL19341242 | 0.88 | HCRTR1 (1.00) | HCRTR1HCRTR2KCNH2 | |
| Seltorexant SCHEMBL17270584 | 0.87 | HCRTR1 (0.98) | HCRTR1HCRTR2KCNH2 | |
| Seltorexant SCHEMBL29577602 | 0.87 | HCRTR1 (0.98) | HCRTR1HCRTR2KCNH2 | |
| SCHEMBL1672329 | 0.86 | HCRTR1 (1.00) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2491038-B1 | DISUBSTITUTED OCTAHY - DROPYRROLO [3,4-C]PYRROLES AS OREXIN RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2016-04-06 | — | — | EP | claimed |