Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 16/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
| ▸ | CTSD | P07339 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7963071 | 0.89 | BACE1 (0.35) | BACE1CTSD | |
| SCHEMBL1830832 | 0.87 | AR (0.40) | BACE1AKR1B1ALOX12 | |
| SCHEMBL1823750 | 0.87 | BACE1 (0.53) | BACE1AKR1B1CTSD | |
| SCHEMBL1830282 | 0.85 | BACE1 (0.39) | BACE1AKR1B1 | |
| SCHEMBL7958966 | 0.81 | BACE1 (0.40) | BACE1AKR1B1CTSD | |
| SCHEMBL1828650 | 0.81 | BACE1 (0.50) | BACE1 | |
| SCHEMBL1829686 | 0.81 | BACE1 (0.49) | BACE1CTSD | |
| SCHEMBL1822243 | 0.81 | BACE1 (0.42) | BACE1AKR1B1ALOX12 | |
| SCHEMBL12245750 | 0.80 | BACE1 (0.50) | BACE1CTSD | |
| SCHEMBL1828086 | 0.80 | BACE1 (0.56) | 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 |