Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 19/20 | 0.83 |
| ▸ | HCRTR2 | O43614 | 4/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL17017374 | 1.00 | HCRTR1 (0.83) | HCRTR1HCRTR2ALDH1A1TP53 | |
| SCHEMBL17017366 | 0.91 | HCRTR1 (0.78) | HCRTR1HCRTR2ALDH1A1TP53 | |
| SCHEMBL17028082 | 0.91 | HCRTR1 (1.00) | HCRTR1HCRTR2 | |
| SCHEMBL17007177 | 0.91 | HCRTR1 (1.00) | HCRTR1HCRTR2 | |
| SCHEMBL17021492 | 0.91 | HCRTR1 (1.00) | HCRTR1HCRTR2 | |
| SCHEMBL17017373 | 0.87 | HCRTR1 (0.80) | HCRTR1HCRTR2 | |
| SCHEMBL17166368 | 0.87 | HCRTR1 (0.80) | HCRTR1HCRTR2 | |
| SCHEMBL16666165 | 0.85 | HCRTR1 (0.67) | HCRTR1HCRTR2ALDH1A1TP53 | |
| SCHEMBL22131250 | 0.83 | HCRTR1 (0.65) | HCRTR1HCRTR2ALDH1A1TP53 | |
| SCHEMBL17017307 | 0.83 | HCRTR1 (0.65) | HCRTR1HCRTR2ALDH1A1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| US-9156829-B2 | Cycloalkyl and heterocycloalkyl compounds as orexin receptor antagonists | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-10-13 | — | — | US | disclosed |