Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14768340 | 1.00 | BACE1 (0.48) | BACE1KCNH2APP | |
| SCHEMBL362220 | 0.94 | BACE1 (0.46) | BACE1APP | |
| SCHEMBL11894363 | 0.84 | BACE1 (0.47) | BACE1APP | |
| SCHEMBL363017 | 0.84 | BACE1 (0.47) | BACE1APP | |
| SCHEMBL11894288 | 0.82 | BACE1 (0.44) | BACE1KCNH2 | |
| SCHEMBL11894291 | 0.82 | BACE1 (0.44) | BACE1KCNH2 | |
| SCHEMBL11894446 | 0.82 | BACE1 (0.44) | BACE1KCNH2 | |
| SCHEMBL11894660 | 0.82 | BACE1 (0.38) | BACE1KCNH2 | |
| SCHEMBL11894662 | 0.82 | BACE1 (0.38) | BACE1KCNH2 | |
| SCHEMBL11894445 | 0.82 | BACE1 (0.44) | BACE1KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8399459-B2 | 1,4 oxazines as BACE1 and/or BACE2 inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2013-03-19 | — | — | US | disclosed |