Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 15/20 | 0.46 |
| ▸ | CTSD | P07339 | 6/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 2/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2375593 | 0.89 | BACE1 (0.46) | BACE1CTSDAKR1B1 | |
| SCHEMBL7948880 | 0.88 | BACE1 (0.44) | BACE1CTSDAKR1B1AR | |
| SCHEMBL7960752 | 0.87 | BACE1 (0.41) | BACE1CTSDAKR1B1SCN9A | |
| SCHEMBL2375464 | 0.82 | BACE1 (0.52) | BACE1CTSD | |
| SCHEMBL12244930 | 0.82 | BACE1 (0.52) | BACE1CTSD | |
| SCHEMBL7959217 | 0.77 | BACE1 (0.35) | BACE1CTSDAKR1B1AR | |
| SCHEMBL2376968 | 0.76 | BACE1 (0.45) | BACE1CTSDAKR1B1 | |
| SCHEMBL2376466 | 0.76 | BACE1 (0.47) | BACE1CTSDAKR1B1 | |
| SCHEMBL12246268 | 0.76 | BACE1 (0.41) | BACE1CTSDAKR1B1 | |
| SCHEMBL2376874 | 0.76 | BACE1 (0.42) | BACE1CTSDAKR1B1SCN9A |
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 |