Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 15/20 | 0.57 |
| ▸ | BACE2 | Q9Y5Z0 | 8/20 | 0.57 |
| ▸ | GRM4 | Q14833 | 3/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7859564 | 1.00 | BACE1 (0.57) | BACE1BACE2GRM4KCNH2GRM1 | |
| SCHEMBL286894 | 0.83 | BACE2 (0.69) | BACE1BACE2 | |
| SCHEMBL286697 | 0.81 | BACE1 (0.65) | BACE1BACE2KCNH2 | |
| SCHEMBL2890549 | 0.76 | BACE1 (0.49) | BACE1BACE2 | |
| SCHEMBL245831 | 0.76 | BACE1 (0.77) | BACE1BACE2KCNH2 | |
| SCHEMBL7861694 | 0.75 | BACE1 (0.55) | BACE1BACE2 | |
| SCHEMBL286547 | 0.75 | BACE1 (0.55) | BACE1BACE2 | |
| SCHEMBL2890546 | 0.75 | BACE2 (0.41) | BACE1BACE2 | |
| SCHEMBL2890547 | 0.75 | BACE2 (0.41) | BACE1BACE2 | |
| SCHEMBL18306691 | 0.73 | BACE1 (0.64) | 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 |
|---|---|---|---|---|---|---|---|
| EP-2427437-A1 | DIHYDROPYRIMIDINONES FOR USE AS BACE2 INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2012-03-14 | — | — | EP | claimed |
| EP-2427437-A1 | DIHYDROPYRIMIDINONES FOR USE AS BACE2 INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2012-03-14 | — | — | EP | disclosed |