Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 18/20 | 0.37 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL755724 | 1.00 | BACE1 (0.37) | BACE1BACE2AURKAAURKBADORA3 | |
| SCHEMBL757184 | 0.91 | BACE1 (0.47) | BACE1 | |
| SCHEMBL757084 | 0.91 | BACE1 (0.47) | BACE1 | |
| SCHEMBL756051 | 0.87 | BACE1 (0.39) | BACE1BACE2ADORA3ADORA2AADORA1 | |
| SCHEMBL754949 | 0.87 | BACE1 (0.39) | BACE1BACE2ADORA3ADORA2AADORA1 | |
| SCHEMBL764656 | 0.87 | BACE1 (0.39) | BACE1BACE2ADORA3ADORA2AADORA1 | |
| SCHEMBL757477 | 0.84 | BACE1 (0.53) | BACE1BACE2 | |
| SCHEMBL755639 | 0.84 | BACE1 (0.53) | BACE1BACE2 | |
| SCHEMBL765610 | 0.84 | BACE1 (0.53) | BACE1BACE2 | |
| SCHEMBL5620221 | 0.84 | BACE1 (0.35) | 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-1910364-B1 | SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME (US) | 2012-03-21 | — | — | EP | claimed |