Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 17/20 | 0.42 |
| ▸ | APP | P05067 | 13/20 | 0.42 |
| ▸ | CTSD | P07339 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2376523 | 0.90 | BACE1 (0.54) | BACE1APPCTSD | |
| SCHEMBL2374574 | 0.79 | BACE1 (0.43) | BACE1APPCTSD | |
| SCHEMBL7961021 | 0.78 | BACE1 (0.32) | BACE1 | |
| SCHEMBL2376632 | 0.77 | BACE1 (0.61) | BACE1APPCTSD | |
| SCHEMBL7971341 | 0.76 | BACE1 (0.50) | BACE1APPCTSD | |
| SCHEMBL16136570 | 0.75 | BACE1 (0.40) | BACE1APPCTSD | |
| SCHEMBL7960450 | 0.75 | BACE1 (0.37) | BACE1CTSD | |
| SCHEMBL2376878 | 0.74 | BACE1 (0.54) | BACE1APPCTSD | |
| SCHEMBL7962025 | 0.73 | BACE1 (0.57) | BACE1APPCTSD | |
| SCHEMBL7964584 | 0.73 | KDM4E (0.35) | BACE1CTSD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010021680-A2 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. (US) | 2010-02-25 | — | — | WO | disclosed |