Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 18/20 | 0.43 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2018791 | 1.00 | BACE1 (0.43) | BACE1BACE2LMNATSHRNPSR1 | |
| SCHEMBL2023745 | 0.88 | BACE1 (0.53) | BACE1BACE2 | |
| SCHEMBL2024027 | 0.88 | BACE1 (0.53) | BACE1BACE2 | |
| SCHEMBL4946005 | 0.88 | BACE1 (0.43) | BACE1BACE2 | |
| SCHEMBL2023415 | 0.88 | BACE1 (0.43) | BACE1BACE2 | |
| SCHEMBL12578958 | 0.85 | BACE1 (0.49) | BACE1BACE2 | |
| SCHEMBL4684152 | 0.83 | BACE1 (0.42) | BACE1BACE2 | |
| SCHEMBL2023115 | 0.83 | BACE1 (0.49) | BACE1BACE2LMNATSHRNPSR1 | |
| SCHEMBL2023116 | 0.83 | BACE1 (0.49) | BACE1BACE2LMNATSHRNPSR1 | |
| SCHEMBL2026305 | 0.83 | BACE1 (0.46) | 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 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 |