Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.59 |
| ▸ | BACE2 | Q9Y5Z0 | 8/20 | 0.59 |
| ▸ | APP | P05067 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL1979047 | 0.90 | BACE1 (0.67) | BACE1BACE2 | |
| SCHEMBL1980393 | 0.90 | BACE1 (0.65) | BACE1BACE2 | |
| SCHEMBL1980007 | 0.87 | BACE1 (0.68) | BACE1BACE2APP | |
| SCHEMBL1975396 | 0.86 | BACE1 (0.60) | BACE1BACE2 | |
| Hydrochloric Acid SCHEMBL1981515 | 0.86 | BACE1 (0.67) | BACE1BACE2APP | |
| SCHEMBL1979716 | 0.85 | BACE1 (0.65) | BACE1BACE2 | |
| Hydrochloric Acid SCHEMBL1981040 | 0.84 | BACE1 (0.64) | BACE1BACE2 | |
| SCHEMBL1978880 | 0.83 | BACE1 (0.62) | BACE1BACE2 | |
| SCHEMBL1981784 | 0.82 | BACE1 (0.69) | BACE1BACE2 | |
| SCHEMBL1979498 | 0.81 | BACE1 (0.69) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |