Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.42 |
| ▸ | BACE2 | Q9Y5Z0 | 5/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12446317 | 0.77 | BACE1 (0.41) | BACE1BACE2 | |
| SCHEMBL10192918 | 0.76 | BACE1 (0.57) | BACE1BACE2 | |
| SCHEMBL10192916 | 0.72 | BACE1 (0.61) | BACE1BACE2 | |
| SCHEMBL7942740 | 0.70 | BACE1 (0.64) | BACE1BACE2CYP2D6 | |
| SCHEMBL12445746 | 0.70 | BACE1 (0.64) | BACE1BACE2CYP2D6 | |
| SCHEMBL12445581 | 0.69 | BACE1 (0.56) | BACE1BACE2 | |
| SCHEMBL7933473 | 0.69 | BACE1 (0.65) | BACE1BACE2CYP2D6 | |
| SCHEMBL7945073 | 0.69 | BACE1 (0.65) | BACE1BACE2CYP2D6 | |
| SCHEMBL10155890 | 0.68 | BACE1 (0.54) | BACE1BACE2 | |
| SCHEMBL7942878 | 0.68 | BACE1 (0.75) | 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 |
|---|---|---|---|---|---|---|---|
| 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 |