Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 19/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | BACE2 | Q9Y5Z0 | 8/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12446234 | 0.84 | BACE1 (0.47) | BACE1NPC1RAB9ASMN1; SMN2BACE2 | |
| SCHEMBL12446154 | 0.83 | BACE1 (0.54) | BACE1 | |
| SCHEMBL7940427 | 0.79 | SMN1; SMN2 (0.48) | BACE1NPC1RAB9ASMN1; SMN2BACE2 | |
| SCHEMBL7942651 | 0.78 | BACE1 (0.47) | BACE1NPC1RAB9ASMN1; SMN2BACE2 | |
| SCHEMBL7943975 | 0.77 | BACE1 (0.61) | BACE1BACE2CYP2D6CYP2C9KCNH2 | |
| SCHEMBL12446185 | 0.75 | NPC1 (0.43) | BACE1NPC1RAB9ASMN1; SMN2BACE2 | |
| SCHEMBL12445581 | 0.74 | BACE1 (0.56) | BACE1BACE2 | |
| SCHEMBL17277723 | 0.73 | BACE1 (0.56) | BACE1BACE2KCNH2 | |
| SCHEMBL7942653 | 0.73 | BACE1 (0.46) | BACE1NPC1RAB9ASMN1; SMN2BACE2 | |
| SCHEMBL7942303 | 0.73 | NPC1 (0.53) | NPC1RAB9ASMN1; 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 |
|---|---|---|---|---|---|---|---|
| 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 |