Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 10/20 | 0.42 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.34 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.33 |
| ▸ | CDC7 | O00311 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | PRKACA | P17612 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.33 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.30 |
| ▸ | PPARG | P37231 | 1/20 | 0.30 |
| ▸ | PPARD | Q03181 | 1/20 | 0.30 |
| ▸ | PPARA | Q07869 | 1/20 | 0.30 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2027658 | 1.00 | BACE1 (0.42) | BACE1BACE2PTPN22CDC7ROCK2 | |
| SCHEMBL2023115 | 0.87 | BACE1 (0.49) | BACE1BACE2CDC7ROCK2PIM1 | |
| SCHEMBL2023116 | 0.87 | BACE1 (0.49) | BACE1BACE2CDC7ROCK2PIM1 | |
| SCHEMBL4945797 | 0.84 | BACE1 (0.44) | BACE1BACE2PTPN22CDC7ROCK2 | |
| SCHEMBL4947307 | 0.84 | BACE1 (0.44) | BACE1BACE2PTPN22CDC7ROCK2 | |
| SCHEMBL12578541 | 0.81 | BACE1 (0.42) | BACE1BACE2MEN1KMT2AALDH1A1 | |
| SCHEMBL2024046 | 0.81 | BACE1 (0.41) | BACE1BACE2 | |
| SCHEMBL2027660 | 0.75 | BACE1 (0.36) | BACE1BACE2 | |
| SCHEMBL2025875 | 0.75 | BACE1 (0.39) | BACE1BACE2 | |
| SCHEMBL4939179 | 0.75 | BACE1 (0.49) | BACE1BACE2PTGS2SMN1; SMN2 |
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 |