Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 16/20 | 0.39 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4946010 | 0.86 | BACE1 (0.42) | BACE1BACE2HDAC1 | |
| SCHEMBL2024029 | 0.86 | BACE1 (0.41) | BACE1BACE2HDAC1 | |
| SCHEMBL2023118 | 0.82 | BACE1 (0.37) | BACE1BACE2HDAC1 | |
| SCHEMBL2022704 | 0.81 | BACE1 (0.32) | BACE1HDAC1 | |
| SCHEMBL2018791 | 0.80 | BACE1 (0.43) | BACE1BACE2 | |
| SCHEMBL2018789 | 0.80 | BACE1 (0.43) | BACE1BACE2 | |
| SCHEMBL2021317 | 0.79 | BACE1 (0.47) | BACE1HDAC1 | |
| SCHEMBL2024027 | 0.78 | BACE1 (0.53) | BACE1BACE2 | |
| SCHEMBL2023745 | 0.78 | BACE1 (0.53) | BACE1BACE2 | |
| SCHEMBL2019554 | 0.78 | BACE1 (0.48) | BACE1BACE2HDAC1 |
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-7968571-B2 | 2,4,6-substituted pyridyl derivative compounds useful as beta-secretase inhibitors for the treatment of Alzheimer's Disease | Merck, Sharp & Dohme, Corp. (US) | 2011-06-28 | — | — | US | disclosed |