Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 20/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | HTR1A | P08908 | 3/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR1D | P28221 | 2/20 | 0.39 |
| ▸ | HTR1B | P28222 | 2/20 | 0.39 |
| ▸ | HTR1F | P30939 | 2/20 | 0.39 |
| ▸ | HTR7 | P34969 | 2/20 | 0.39 |
| ▸ | DRD3 | P35462 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2024337 | 0.86 | HTR6 (0.48) | HTR6CYP3A4CYP2D6 | |
| SCHEMBL3213479 | 0.78 | HTR6 (1.00) | HTR6CYP3A4CYP2D6 | |
| SCHEMBL13465048 | 0.75 | HTR6 (0.55) | HTR6CYP3A4CYP2D6HTR1ADRD2 | |
| SCHEMBL3614805 | 0.75 | HTR6 (0.92) | HTR6CYP3A4CYP2D6 | |
| SCHEMBL3623511 | 0.74 | HTR6 (0.83) | HTR6CYP3A4CYP2D6HTR1ADRD2 | |
| SCHEMBL2023628 | 0.73 | HTR6 (0.62) | HTR6CYP3A4CYP2D6HTR1ADRD2 | |
| SCHEMBL3619990 | 0.72 | HTR6 (0.84) | HTR6CYP3A4CYP2D6 | |
| SCHEMBL15339797 | 0.71 | HTR6 (0.50) | HTR6CYP3A4CYP2D6HTR1ADRD2 | |
| SCHEMBL2130318 | 0.71 | HCRTR1 (0.61) | HTR6CYP3A4CYP2D6 | |
| SCHEMBL3619729 | 0.71 | HTR6 (0.98) | HTR6CYP3A4CYP2D6 |
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-2516439-B1 | DIAZA-SPIRO[5.5]UNDECANES AS OREXIN RECEPTOR ANTAGONISTS | NOVARTIS AG (CH) | 2014-01-22 | — | — | EP | disclosed |