Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.52 |
| ▸ | BACE2 | Q9Y5Z0 | 13/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL1981723 | 0.88 | BACE1 (0.58) | BACE1BACE2 | |
| SCHEMBL1979804 | 0.84 | BACE1 (0.66) | BACE1BACE2CYP2D6 | |
| SCHEMBL1980711 | 0.81 | BACE1 (0.63) | BACE1BACE2 | |
| SCHEMBL1979229 | 0.81 | BACE1 (0.66) | BACE1BACE2 | |
| SCHEMBL1978333 | 0.81 | BACE1 (0.78) | BACE1BACE2 | |
| SCHEMBL1972644 | 0.81 | BACE1 (0.78) | BACE1BACE2 | |
| SCHEMBL1979162 | 0.80 | BACE1 (0.59) | BACE1BACE2 | |
| SCHEMBL1979443 | 0.80 | BACE1 (0.51) | BACE1BACE2 | |
| SCHEMBL1979981 | 0.80 | BACE1 (0.64) | BACE1BACE2 | |
| SCHEMBL1979183 | 0.80 | BACE1 (0.48) | BACE1BACE2 |
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 4 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 | claimed |
| 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 | claimed |
| 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 |