Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 7/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 3/20 | 0.33 |
| ▸ | CTSD | P07339 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.31 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.31 |
| ▸ | DYRK1B | Q9Y463 | 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 | |
|---|---|---|---|---|
| SCHEMBL2377176 | 0.88 | BACE1 (0.42) | PGRBACE1CTSD | |
| SCHEMBL12244973 | 0.88 | BACE1 (0.37) | ALOX12BACE1CTSDAKR1B1 | |
| SCHEMBL2376676 | 0.88 | BACE1 (0.42) | PGRBACE1CTSD | |
| SCHEMBL2376505 | 0.88 | BACE1 (0.37) | MAOBALOX12BACE1CTSDAKR1B1 | |
| SCHEMBL2376503 | 0.88 | BACE1 (0.37) | MAOBALOX12BACE1CTSDAKR1B1 | |
| SCHEMBL2375864 | 0.87 | BACE1 (0.41) | BACE1CTSD | |
| SCHEMBL2375867 | 0.87 | BACE1 (0.41) | BACE1CTSD | |
| SCHEMBL2377152 | 0.84 | AKR1B1 (0.39) | MAOBALOX12BACE1CTSDAKR1B1 | |
| SCHEMBL13440469 | 0.75 | PGR (0.41) | PGRBACE1ALDH1A1FYNCLK4 | |
| SCHEMBL1464135 | 0.73 | BACE1 (0.41) | MAOBALOX12BACE1CTSDAKR1B1 |
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 |