Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 9/20 | 0.38 |
| ▸ | CTSD | P07339 | 8/20 | 0.38 |
| ▸ | MDM2 | Q00987 | 6/20 | 0.32 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 4/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | HTR6 | P50406 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2377763 | 0.89 | BACE1 (0.39) | BACE1CTSDMDM2TRPA1 | |
| SCHEMBL7960450 | 0.84 | BACE1 (0.37) | BACE1CTSD | |
| SCHEMBL7961006 | 0.81 | BACE1 (0.33) | BACE1CTSDTP53 | |
| SCHEMBL7964584 | 0.81 | KDM4E (0.35) | BACE1CTSD | |
| SCHEMBL2377481 | 0.79 | MAOB (0.43) | BACE1CTSD | |
| SCHEMBL1827949 | 0.79 | BACE1 (0.41) | BACE1CTSD | |
| SCHEMBL2375239 | 0.79 | BACE1 (0.42) | BACE1CTSD | |
| SCHEMBL2376516 | 0.79 | BACE1 (0.39) | BACE1CTSDTRPA1 | |
| SCHEMBL2376428 | 0.78 | MAOB (0.36) | BACE1CTSD | |
| SCHEMBL2377834 | 0.77 | MEN1 (0.41) | BACE1CTSD |
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 |