Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 5/20 | 0.44 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.44 |
| ▸ | AKR1A1 | P14550 | 2/20 | 0.44 |
| ▸ | BACE1 | P56817 | 7/20 | 0.41 |
| ▸ | APP | P05067 | 6/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7970790 | 0.90 | BACE1 (0.40) | AKR1B1AKR1B10AKR1A1BACE1APP | |
| SCHEMBL1822217 | 0.88 | BACE1 (0.54) | AKR1B1AKR1B10AKR1A1BACE1APP | |
| SCHEMBL1823111 | 0.78 | BACE1 (0.52) | BACE1APP | |
| SCHEMBL7960232 | 0.78 | AKR1B1 (0.35) | AKR1B1AKR1B10AKR1A1MAPT | |
| SCHEMBL1820001 | 0.75 | AKR1B1 (0.46) | AKR1B1AKR1B10AKR1A1BACE1APP | |
| SCHEMBL1978738 | 0.74 | AKR1B1 (0.48) | AKR1B1AKR1B10AKR1A1BACE1APP | |
| SCHEMBL7956191 | 0.72 | AKR1B1 (0.47) | AKR1B1AKR1B10AKR1A1MAPT | |
| SCHEMBL7958889 | 0.71 | BACE1 (0.41) | AKR1B1AKR1B10AKR1A1BACE1APP | |
| SCHEMBL7957786 | 0.70 | AKR1B1 (0.55) | AKR1B1AKR1B10AKR1A1MAPT | |
| SCHEMBL7971341 | 0.70 | BACE1 (0.50) | BACE1APP |
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 |