Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 10/20 | 0.49 |
| ▸ | BCHE | P06276 | 8/20 | 0.49 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.47 |
| ▸ | CTSD | P07339 | 1/20 | 0.41 |
| ▸ | BACE2 | Q9Y5Z0 | 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 | |
|---|---|---|---|---|
| SCHEMBL5216600 | 0.85 | BACE1 (0.49) | BACE1BCHE | |
| SCHEMBL256560 | 0.78 | BCHE (0.46) | BACE1BCHE | |
| SCHEMBL14201586 | 0.76 | BACE1 (0.54) | BACE1CTSD | |
| SCHEMBL7909784 | 0.74 | TRPA1 (0.61) | BCHETRPA1 | |
| SCHEMBL19567292 | 0.73 | CYP1A2 (0.41) | — | |
| SCHEMBL20781990 | 0.71 | SLC2A1 (0.47) | — | |
| SCHEMBL13073581 | 0.71 | BCHE (0.48) | BACE1BCHE | |
| SCHEMBL4043821 | 0.71 | BACE1 (0.48) | BACE1BCHE | |
| SCHEMBL8276492 | 0.71 | BACE1 (0.62) | BACE1BCHECTSDBACE2 | |
| SCHEMBL3455222 | 0.71 | BACE1 (0.62) | BACE1BCHECTSDBACE2 |
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-2012028563-A1 | BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-03-08 | — | — | WO | disclosed |