Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.53 |
| ▸ | APP | P05067 | 5/20 | 0.53 |
| ▸ | CTSD | P07339 | 5/20 | 0.53 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12245145 | 1.00 | BACE1 (0.53) | BACE1APPCTSDCTSB | |
| SCHEMBL7959346 | 1.00 | BACE1 (0.53) | BACE1APPCTSDCTSB | |
| SCHEMBL7947047 | 1.00 | BACE1 (0.53) | BACE1APPCTSDCTSB | |
| SCHEMBL7955645 | 0.95 | BACE1 (0.50) | BACE1APPCTSD | |
| SCHEMBL7959333 | 0.90 | BACE1 (0.55) | BACE1APPCTSD | |
| SCHEMBL7964034 | 0.89 | BACE1 (0.67) | BACE1APPCTSD | |
| SCHEMBL7970122 | 0.89 | BACE1 (0.51) | BACE1APPCTSDCTSB | |
| SCHEMBL7961862 | 0.89 | BACE1 (0.51) | BACE1APPCTSDCTSB | |
| SCHEMBL7957901 | 0.89 | BACE1 (0.51) | BACE1APPCTSDCTSB | |
| SCHEMBL7957032 | 0.89 | BACE1 (0.48) | BACE1APPCTSD |
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 |