Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.56 |
| ▸ | BACE2 | Q9Y5Z0 | 2/20 | 0.38 |
| ▸ | CTSD | P07339 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL299275 | 0.90 | BACE1 (0.64) | BACE1CTSD | |
| SCHEMBL298007 | 0.86 | BACE1 (0.60) | BACE1BACE2 | |
| SCHEMBL297214 | 0.86 | BACE1 (0.55) | BACE1 | |
| SCHEMBL296955 | 0.86 | BACE1 (0.55) | BACE1CTSD | |
| SCHEMBL298086 | 0.86 | BACE1 (0.55) | BACE1 | |
| SCHEMBL298170 | 0.85 | BACE1 (0.57) | BACE1BACE2 | |
| SCHEMBL298988 | 0.80 | BACE1 (0.61) | BACE1BACE2 | |
| SCHEMBL297853 | 0.80 | BACE1 (0.50) | BACE1CTSD | |
| SCHEMBL297136 | 0.79 | BACE1 (0.48) | BACE1BACE2 | |
| SCHEMBL298706 | 0.78 | BACE1 (0.48) | BACE1BACE2CTSD |
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 |