Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.35 |
| ▸ | BACE1 | P56817 | 10/20 | 0.33 |
| ▸ | APP | P05067 | 6/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16136607 | 0.67 | AKR1B1 (0.35) | AKR1B1BACE1APP | |
| SCHEMBL1829170 | 0.67 | BACE1 (0.43) | AKR1B1BACE1APP | |
| SCHEMBL16136524 | 0.62 | AKR1B1 (0.38) | AKR1B1BACE1 | |
| SCHEMBL12299265 | 0.61 | AKR1B1 (0.37) | AKR1B1BACE1 | |
| SCHEMBL12246365 | 0.61 | AKR1B1 (0.46) | AKR1B1 | |
| Hydrochloric Acid SCHEMBL1822716 | 0.60 | AKR1B1 (0.45) | AKR1B1 | |
| SCHEMBL1824431 | 0.59 | AKR1B1 (0.42) | AKR1B1 | |
| SCHEMBL1821217 | 0.58 | AR (0.57) | — | |
| SCHEMBL1822169 | 0.58 | AKR1B1 (0.44) | AKR1B1BACE1 | |
| SCHEMBL16230122 | 0.57 | BACE1 (0.51) | 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 |