Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.69 |
| ▸ | PDE4A | P27815 | 14/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 14/20 | 0.43 |
| ▸ | PDE4C | Q08493 | 14/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 14/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5999386 | 0.89 | BACE1 (0.72) | BACE1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL8266935 | 0.89 | BACE1 (0.69) | BACE1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL8266893 | 0.85 | BACE1 (0.77) | BACE1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL8272691 | 0.84 | BACE1 (0.75) | BACE1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL27690070 | 0.84 | BACE1 (0.75) | BACE1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5999607 | 0.82 | BACE1 (1.00) | BACE1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5999612 | 0.79 | BACE1 (0.58) | BACE1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5999564 | 0.78 | BACE1 (0.75) | BACE1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5502992 | 0.71 | BACE1 (0.79) | BACE1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL8273647 | 0.71 | BACE1 (0.48) | BACE1PDE4APDE4BPDE4CPDE4D |
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-8383637-B2 | 2-amino-quinazoline derivatives useful as inhibitors of β-secretase (BACE) | JANSSSEN PHARMACEUTICA N.V. (BE) | 2013-02-26 | — | — | US | disclosed |