Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 3/20 | 0.40 |
| ▸ | BACE1 | P56817 | 11/20 | 0.36 |
| ▸ | CTSD | P07339 | 2/20 | 0.35 |
| ▸ | AR | P10275 | 3/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16136529 | 0.79 | BACE1 (0.41) | BACE1CTSD | |
| SCHEMBL1822778 | 0.76 | AKR1B1 (0.47) | AKR1B1CYP19A1 | |
| SCHEMBL1821671 | 0.74 | ALOX12 (0.39) | AKR1B1BACE1ARCYP19A1ABCB1 | |
| SCHEMBL2378041 | 0.73 | BACE1 (0.59) | BACE1CTSD | |
| SCHEMBL2375229 | 0.73 | BACE1 (0.59) | BACE1CTSD | |
| SCHEMBL1829267 | 0.73 | BACE1 (0.59) | BACE1CTSD | |
| SCHEMBL7948175 | 0.73 | BACE1 (0.59) | BACE1CTSD | |
| SCHEMBL16369155 | 0.73 | KDM4E (0.35) | AKR1B1BACE1CTSDAR | |
| SCHEMBL1464135 | 0.72 | BACE1 (0.41) | AKR1B1BACE1CTSDAR | |
| SCHEMBL2375565 | 0.71 | BACE1 (0.46) | AKR1B1BACE1CTSD |
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 |
|---|---|---|---|---|---|---|---|
| EP-2324032-B1 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS INC (US) | 2014-10-01 | — | — | EP | disclosed |