Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2374548 | 0.89 | BACE1 (0.40) | CTSDBACE1KDM4EALDH1A1GAA | |
| SCHEMBL7964584 | 0.82 | KDM4E (0.35) | CTSDBACE1KDM4EALDH1A1GAA | |
| SCHEMBL7960450 | 0.81 | BACE1 (0.37) | CTSDBACE1 | |
| SCHEMBL7950191 | 0.81 | BACE1 (0.38) | CTSDBACE1 | |
| SCHEMBL7961006 | 0.80 | BACE1 (0.33) | CTSDBACE1 | |
| SCHEMBL2378076 | 0.76 | BACE1 (0.55) | CTSDBACE1 | |
| SCHEMBL2377481 | 0.74 | MAOB (0.43) | CTSDBACE1 | |
| SCHEMBL7961228 | 0.73 | BACE1 (0.42) | CTSDBACE1 | |
| SCHEMBL7961021 | 0.72 | BACE1 (0.32) | BACE1 | |
| SCHEMBL2376428 | 0.72 | MAOB (0.36) | CTSDBACE1KDM4EALDH1A1 |
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 |