Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 12/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | ACACB | O00763 | 3/20 | 0.37 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.35 |
| ▸ | MGAT2 | Q10469 | 1/20 | 0.34 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16622125 | 0.88 | BACE1 (0.40) | BACE1APPACACBMAOAMAOB | |
| SCHEMBL9948059 | 0.86 | MAOA (0.49) | BACE1APPMAOAMAOBPDK2 | |
| SCHEMBL16622124 | 0.86 | BACE1 (0.54) | BACE1APP | |
| SCHEMBL9948404 | 0.79 | HRH3 (0.38) | BACE1APPMAOAMAOB | |
| SCHEMBL9947869 | 0.79 | BRD4 (0.40) | BACE1APPACACBMAOAMAOB | |
| SCHEMBL16622123 | 0.77 | HRH3 (0.49) | BACE1APPACACBMAOAMAOB | |
| SCHEMBL9948033 | 0.77 | MAOB (0.45) | BACE1APPACACBMAOAMAOB | |
| SCHEMBL12747715 | 0.75 | MAOB (0.55) | MAOAMAOB | |
| SCHEMBL11805867 | 0.75 | METAP1 (0.47) | MAOB | |
| SCHEMBL9948566 | 0.74 | MAOA (0.49) | BACE1MAOAMAOBPDK2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9000185-B2 | Cycloalkyl ether compounds and their use as BACE inhibitors | ASTRAZENECA AB (SE) | 2015-04-07 | — | — | US | disclosed |
| US-9000185-B2 | Cycloalkyl ether compounds and their use as BACE inhibitors | ASTRAZENECA AB (SE) | 2015-04-07 | — | — | US | disclosed |