Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 18/20 | 0.38 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10267991 | 1.00 | BACE1 (0.38) | BACE1BACE2ADORA3ADORA1ADORA2A | |
| SCHEMBL754014 | 1.00 | BACE1 (0.38) | BACE1BACE2ADORA3ADORA1ADORA2A | |
| Trifluoroacetic Acid SCHEMBL755302 | 0.94 | BACE1 (0.36) | BACE1BACE2 | |
| Trifluoroacetic Acid SCHEMBL757608 | 0.94 | BACE1 (0.36) | BACE1BACE2 | |
| SCHEMBL764637 | 0.90 | BACE1 (0.47) | BACE1BACE2ADORA3ADORA1ADORA2A | |
| SCHEMBL4739104 | 0.87 | BACE1 (0.41) | BACE1BACE2ADORA3ADORA1ADORA2A | |
| SCHEMBL755919 | 0.87 | BACE1 (0.41) | BACE1BACE2 | |
| SCHEMBL764599 | 0.87 | BACE1 (0.41) | BACE1BACE2ADORA3ADORA1ADORA2A | |
| SCHEMBL757907 | 0.87 | BACE1 (0.41) | BACE1BACE2 | |
| SCHEMBL756051 | 0.86 | BACE1 (0.39) | BACE1BACE2ADORA3ADORA1ADORA2A |
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 | disclosed |