Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.49 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.49 |
| ▸ | CTSD | P07339 | 8/20 | 0.47 |
| ▸ | APP | P05067 | 3/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | CTSB | P07858 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL13859247 | 0.88 | BACE1 (0.42) | BACE1BACE2CTSDAPPCTSB | |
| SCHEMBL13835891 | 0.83 | BACE1 (0.48) | BACE1BACE2CTSDAPPKCNH2 | |
| SCHEMBL13835894 | 0.83 | BACE1 (0.48) | BACE1BACE2CTSDAPPKCNH2 | |
| Hydrochloric Acid SCHEMBL13835468 | 0.82 | BACE1 (0.48) | BACE1BACE2CTSDAPPKCNH2 | |
| Hydrochloric Acid SCHEMBL13835466 | 0.82 | BACE1 (0.48) | BACE1BACE2CTSDAPPKCNH2 | |
| SCHEMBL1983115 | 0.78 | BACE1 (0.45) | BACE1BACE2 | |
| SCHEMBL1980213 | 0.75 | BACE1 (0.43) | BACE1BACE2CTSD | |
| SCHEMBL13859326 | 0.75 | BACE1 (0.45) | BACE1BACE2APP | |
| SCHEMBL12805021 | 0.74 | BACE1 (0.61) | BACE1BACE2CTSDAPP | |
| SCHEMBL12805018 | 0.74 | BACE1 (0.61) | BACE1BACE2CTSDAPP |
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-2709992-A1 | 1,3-OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2014-03-26 | — | — | EP | claimed |
| WO-2012156284-A1 | 1,3-OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-11-22 | — | — | WO | claimed |
| EP-2709992-A1 | 1,3-OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2014-03-26 | — | — | EP | disclosed |
| WO-2012156284-A1 | 1,3-OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-11-22 | — | — | WO | disclosed |