Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 11/20 | 0.35 |
| ▸ | CTSD | P07339 | 3/20 | 0.34 |
| ▸ | BACE2 | Q9Y5Z0 | 3/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL7974702 | 0.89 | BACE1 (0.40) | BACE1CTSD | |
| SCHEMBL2374794 | 0.89 | BACE1 (0.45) | BACE1CTSDBACE2 | |
| SCHEMBL1829686 | 0.83 | BACE1 (0.49) | BACE1CTSDBACE2CYP11B1CYP11B2 | |
| SCHEMBL12245741 | 0.82 | BACE1 (0.47) | BACE1CTSDBACE2 | |
| SCHEMBL2375759 | 0.82 | BACE1 (0.52) | BACE1CTSD | |
| SCHEMBL1830832 | 0.77 | AR (0.40) | BACE1BACE2 | |
| SCHEMBL1823750 | 0.77 | BACE1 (0.53) | BACE1CTSDBACE2 | |
| SCHEMBL1829170 | 0.76 | BACE1 (0.43) | BACE1CTSDBACE2 | |
| SCHEMBL7971341 | 0.72 | BACE1 (0.50) | BACE1CTSD | |
| SCHEMBL1828650 | 0.72 | BACE1 (0.50) | BACE1 |
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 |