Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 17/20 | 0.67 |
| ▸ | BACE2 | Q9Y5Z0 | 3/20 | 0.67 |
| ▸ | CTSD | P07339 | 2/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL1442061 | 1.00 | BACE1 (0.67) | BACE1BACE2CTSD | |
| SCHEMBL1993237 | 0.90 | BACE1 (0.64) | BACE1BACE2 | |
| SCHEMBL1991566 | 0.87 | BACE1 (0.69) | BACE1BACE2CTSD | |
| SCHEMBL1441018 | 0.87 | BACE1 (0.63) | BACE1BACE2CTSD | |
| SCHEMBL1977845 | 0.82 | BACE1 (0.67) | BACE1BACE2CTSD | |
| SCHEMBL10195361 | 0.80 | BACE1 (1.00) | BACE1BACE2 | |
| SCHEMBL1441234 | 0.80 | BACE1 (1.00) | BACE1BACE2 | |
| SCHEMBL1441003 | 0.80 | BACE1 (0.54) | BACE1BACE2CTSD | |
| SCHEMBL15263768 | 0.79 | BACE1 (1.00) | BACE1BACE2CTSD | |
| SCHEMBL15263765 | 0.79 | BACE1 (1.00) | BACE1BACE2CTSD |
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-2011029803-A1 | 2 -AMINODIHYDRO [1, 3] THIAZINES AS BACE 2 INHIBITORS FOR THE TREATMENT OF DIABETES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-03-17 | — | — | WO | disclosed |