Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPY5R | Q15761 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13859319 | 0.77 | BACE1 (0.44) | — | |
| SCHEMBL13859414 | 0.77 | MAOB (0.47) | — | |
| SCHEMBL13859066 | 0.76 | KDM1A (0.36) | CYP3A4ALDH1A1 | |
| SCHEMBL13859142 | 0.76 | BACE1 (0.44) | — | |
| SCHEMBL1980420 | 0.76 | BACE1 (0.41) | CYP2D6 | |
| SCHEMBL1980055 | 0.75 | BACE2 (0.36) | CYP2D6CYP3A4 | |
| SCHEMBL13859192 | 0.75 | BACE1 (0.41) | — | |
| SCHEMBL13859148 | 0.73 | ADAM17 (0.44) | — | |
| SCHEMBL13859364 | 0.73 | MAOB (0.43) | CYP3A4 | |
| SCHEMBL1984301 | 0.70 | CYP2D6 (0.33) | CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2509965-A1 | 2-AMINO-5, 5-DIFLUORO-5, 6-DIHYDRO-4H-OXAZINES AS BACE 1 AND/OR BACE 2 INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2012-10-17 | — | — | EP | disclosed |
| WO-2011069934-A1 | 2-AMINO-5, 5-DIFLUORO-5, 6-DIHYDRO-4H-OXAZINES AS BACE 1 AND/OR BACE 2 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-06-16 | — | — | WO | disclosed |