Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 8/20 | 0.43 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.43 |
| ▸ | AKR1A1 | P14550 | 2/20 | 0.43 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7957154 | 0.90 | SIRT2 (0.35) | AKR1B1AKR1B10AKR1A1SIRT2CYP1A2 | |
| SCHEMBL10579227 | 0.88 | AKR1B1 (0.43) | AKR1B1AKR1B10AKR1A1 | |
| SCHEMBL10576515 | 0.86 | AKR1B1 (0.59) | AKR1B1AKR1B10AKR1A1SIRT2MAPT | |
| SCHEMBL10573588 | 0.83 | AKR1B1 (0.45) | AKR1B1AKR1B10AKR1A1MAPT | |
| SCHEMBL1979448 | 0.80 | AKR1B1 (0.45) | AKR1B1AKR1B10AKR1A1MAPT | |
| SCHEMBL10575201 | 0.78 | AKR1B1 (0.47) | AKR1B1AKR1B10AKR1A1MAPT | |
| SCHEMBL10571505 | 0.78 | AKR1B1 (0.62) | AKR1B1AKR1B10AKR1A1MAPT | |
| SCHEMBL1978738 | 0.74 | AKR1B1 (0.48) | AKR1B1AKR1B10AKR1A1MAPT | |
| SCHEMBL9836968 | 0.74 | AKR1B1 (0.62) | AKR1B1AKR1B10AKR1A1MAPT | |
| SCHEMBL10574757 | 0.73 | AKR1B1 (0.65) | AKR1B1AKR1B10AKR1A1MAPT |
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 |