Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.69 |
| ▸ | BACE2 | Q9Y5Z0 | 5/20 | 0.49 |
| ▸ | APP | P05067 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CTSE | P14091 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL12445750 | 0.86 | BACE1 (0.53) | BACE1BACE2APPCYP3A4CYP2D6 | |
| SCHEMBL287454 | 0.85 | BACE1 (0.68) | BACE1BACE2 | |
| SCHEMBL12301583 | 0.85 | BACE1 (0.68) | BACE1BACE2 | |
| SCHEMBL12446180 | 0.85 | BACE1 (0.53) | BACE1BACE2APPCYP3A4KCNH2 | |
| SCHEMBL12446182 | 0.83 | BACE1 (0.56) | BACE1 | |
| SCHEMBL362119 | 0.81 | BACE1 (1.00) | BACE1APP | |
| SCHEMBL10155382 | 0.81 | BACE1 (0.79) | BACE1APP | |
| SCHEMBL12445768 | 0.80 | BACE1 (0.53) | BACE1BACE2APP | |
| SCHEMBL287106 | 0.80 | BACE1 (0.70) | BACE1APP | |
| SCHEMBL12445800 | 0.79 | BACE1 (0.65) | BACE1APP |
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-2360155-A1 | 2-AMINOPYRIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVE BOTH HAVING BACE1-INHIBITING ACTIVITY | Shionogi & Co., Ltd. (JP) | 2011-08-24 | — | — | EP | disclosed |