Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 19/20 | 0.53 |
| ▸ | BACE2 | Q9Y5Z0 | 12/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL298345 | 0.85 | BACE2 (0.62) | BACE2 | |
| SCHEMBL297854 | 0.82 | BACE1 (0.50) | BACE1BACE2KCNH2 | |
| SCHEMBL12303315 | 0.80 | BACE1 (0.63) | BACE1BACE2KCNH2 | |
| SCHEMBL287519 | 0.78 | BACE1 (0.73) | BACE1BACE2 | |
| SCHEMBL296622 | 0.78 | BACE1 (0.65) | BACE1BACE2KCNH2 | |
| SCHEMBL12301385 | 0.78 | BACE1 (0.73) | BACE1BACE2 | |
| SCHEMBL7941253 | 0.78 | BACE1 (0.65) | BACE1BACE2KCNH2 | |
| SCHEMBL7943215 | 0.77 | BACE1 (0.71) | BACE1BACE2KCNH2 | |
| SCHEMBL7943934 | 0.77 | BACE1 (0.60) | BACE1BACE2KCNH2 | |
| SCHEMBL7942134 | 0.77 | BACE1 (0.64) | BACE1BACE2KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2427437-A1 | DIHYDROPYRIMIDINONES FOR USE AS BACE2 INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2012-03-14 | — | — | EP | disclosed |