Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 19/20 | 0.53 |
| ▸ | CTSD | P07339 | 18/20 | 0.53 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1827918 | 0.91 | BACE1 (0.47) | BACE1CTSDHSD11B1 | |
| SCHEMBL1825825 | 0.91 | CTSD (0.45) | BACE1CTSD | |
| SCHEMBL1829305 | 0.90 | CTSD (0.46) | BACE1CTSD | |
| SCHEMBL1826421 | 0.87 | BACE1 (0.47) | BACE1CTSDHSD11B1 | |
| SCHEMBL1829335 | 0.77 | BACE1 (0.44) | BACE1CTSDHSD11B1 | |
| SCHEMBL12592266 | 0.76 | BACE1 (0.70) | BACE1CTSD | |
| SCHEMBL1832026 | 0.74 | BACE1 (0.45) | BACE1CTSD | |
| SCHEMBL12245525 | 0.73 | CTSD (0.65) | BACE1CTSD | |
| SCHEMBL1827953 | 0.73 | BACE1 (0.79) | BACE1CTSD | |
| SCHEMBL1823413 | 0.72 | BACE1 (0.45) | 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 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 |