Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 17/20 | 0.45 |
| ▸ | CTSD | P07339 | 7/20 | 0.45 |
| ▸ | BACE2 | Q9Y5Z0 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1826421 | 0.87 | BACE1 (0.47) | BACE1CTSDBACE2 | |
| SCHEMBL1829335 | 0.84 | BACE1 (0.44) | BACE1CTSD | |
| SCHEMBL1823413 | 0.82 | BACE1 (0.45) | BACE1CTSD | |
| SCHEMBL1821336 | 0.82 | BACE1 (0.65) | BACE1CTSD | |
| SCHEMBL1829080 | 0.79 | BACE1 (0.39) | BACE1CTSD | |
| SCHEMBL1986327 | 0.78 | BACE1 (0.49) | BACE1CTSD | |
| SCHEMBL1830168 | 0.76 | BACE1 (0.43) | BACE1CTSDBACE2 | |
| SCHEMBL1828991 | 0.74 | BACE1 (0.42) | BACE1CTSDBACE2 | |
| SCHEMBL1827624 | 0.74 | BACE1 (0.53) | BACE1CTSD | |
| SCHEMBL1828383 | 0.74 | BACE1 (0.39) | BACE1CTSDBACE2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2324032-A2 | INHIBITORS OF BETA-SECRETASE | Vitae Pharmaceuticals, Inc. (US) | 2011-05-25 | — | — | EP | disclosed |
| WO-2010021680-A2 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. (US) | 2010-02-25 | — | — | WO | disclosed |