Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 14/20 | 0.75 |
| ▸ | BACE2 | Q9Y5Z0 | 4/20 | 0.70 |
| ▸ | CTSD | P07339 | 1/20 | 0.66 |
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 | |
|---|---|---|---|---|
| SCHEMBL20628779 | 0.90 | BACE1 (0.70) | BACE1BACE2 | |
| SCHEMBL20628563 | 0.89 | BACE1 (0.66) | BACE1BACE2 | |
| SCHEMBL20628932 | 0.88 | BACE1 (0.75) | BACE1BACE2 | |
| SCHEMBL12094767 | 0.88 | BACE1 (0.75) | BACE1BACE2CTSD | |
| SCHEMBL20628930 | 0.87 | BACE1 (0.72) | BACE1BACE2 | |
| SCHEMBL20628730 | 0.87 | BACE1 (0.69) | BACE1BACE2 | |
| SCHEMBL20628777 | 0.87 | BACE1 (0.74) | BACE1BACE2CTSD | |
| SCHEMBL12094034 | 0.86 | BACE1 (0.71) | BACE1BACE2CTSD | |
| SCHEMBL10195361 | 0.83 | BACE1 (1.00) | BACE1BACE2 | |
| SCHEMBL1441234 | 0.83 | BACE1 (1.00) | BACE1BACE2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3218362-B1 | 2-AMINO-3,5-DIFLUORO-3,6-DIMETHYL-6-PHENYL-3,4,5,6-TETRAHYDROPYRIDINES AS BACE1 INHIBITORS FOR TREATING ALZHEIMER'S DISEASE | H LUNDBECK AS (DK) | 2019-01-09 | — | — | EP | disclosed |