Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT2 | Q8IXJ6 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 7/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.35 |
| ▸ | SGPL1 | O95470 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 2/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.33 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL1979050 | 0.80 | AKR1B1 (0.49) | AKR1B1BACE1AKR1B10AKR1A1 | |
| SCHEMBL10579227 | 0.78 | AKR1B1 (0.43) | AKR1B1GRM2AKR1B10AKR1A1 | |
| SCHEMBL10576515 | 0.76 | AKR1B1 (0.59) | SIRT2AKR1B1GRM2AKR1B10AKR1A1 | |
| SCHEMBL1821671 | 0.74 | ALOX12 (0.39) | SIRT2AKR1B1BACE1AKR1B10AKR1A1 | |
| SCHEMBL10573588 | 0.73 | AKR1B1 (0.45) | AKR1B1AKR1B10AKR1A1 | |
| SCHEMBL1820144 | 0.73 | BACE1 (0.39) | AKR1B1BACE1AKR1B10AKR1A1 | |
| SCHEMBL1824927 | 0.72 | AKR1B1 (0.37) | AKR1B1BACE1AKR1B10AKR1A1 | |
| SCHEMBL1824168 | 0.72 | AKR1B1 (0.43) | SIRT2AKR1B1BACE1AKR1B10AKR1A1 | |
| SCHEMBL1820450 | 0.71 | AKR1B1 (0.38) | AKR1B1BACE1AKR1B10AKR1A1ALDH1A1 | |
| SCHEMBL1825508 | 0.71 | MAPT (0.34) | CYP1A2AKR1B1BACE1AKR1B10AKR1A1 |
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 |