Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.35 |
| ▸ | BACE1 | P56817 | 15/20 | 0.34 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.34 |
| ▸ | CTSD | P07339 | 2/20 | 0.33 |
| ▸ | APP | P05067 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1829170 | 0.86 | BACE1 (0.43) | AKR1B1BACE1BACE2CTSDAPP | |
| SCHEMBL1823750 | 0.76 | BACE1 (0.53) | AKR1B1BACE1BACE2CTSDAPP | |
| SCHEMBL2374794 | 0.74 | BACE1 (0.45) | BACE1BACE2CTSDAPP | |
| SCHEMBL7964852 | 0.72 | BACE1 (0.31) | AKR1B1BACE1 | |
| SCHEMBL1822145 | 0.71 | BACE1 (0.41) | AKR1B1BACE1BACE2CTSD | |
| SCHEMBL1828177 | 0.69 | BACE1 (0.44) | BACE1CTSDAPP | |
| SCHEMBL7969641 | 0.69 | BACE1 (0.37) | BACE1CTSDAPP | |
| SCHEMBL1828027 | 0.68 | ALOX12 (0.37) | AKR1B1 | |
| SCHEMBL7948209 | 0.67 | OPRM1 (0.39) | AKR1B1 | |
| SCHEMBL7958501 | 0.67 | AKR1B1 (0.35) | AKR1B1BACE1APP |
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 |