Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.53 |
| ▸ | BACE2 | Q9Y5Z0 | 16/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL17169373 | 0.86 | BACE1 (0.49) | BACE1BACE2CYP2D6CYP2C9KCNH2 | |
| SCHEMBL15704711 | 0.86 | BACE1 (0.49) | BACE1BACE2CYP2D6CYP2C9KCNH2 | |
| SCHEMBL18636878 | 0.82 | BACE1 (0.54) | BACE1BACE2CYP2D6CYP2C9KCNH2 | |
| SCHEMBL17169071 | 0.82 | BACE1 (0.46) | BACE1BACE2CYP2D6CYP2C9KCNH2 | |
| SCHEMBL17169121 | 0.80 | BACE1 (0.48) | BACE1BACE2CYP2D6CYP2C9KCNH2 | |
| SCHEMBL17169039 | 0.78 | BACE1 (0.54) | BACE1BACE2CYP2D6CYP2C9KCNH2 | |
| SCHEMBL17169070 | 0.78 | BACE1 (0.48) | BACE1BACE2CYP2D6 | |
| SCHEMBL18636869 | 0.77 | BACE1 (0.49) | BACE1BACE2CYP2D6CYP2C9KCNH2 | |
| SCHEMBL17169130 | 0.77 | BACE1 (0.52) | BACE1BACE2CYP2D6 | |
| SCHEMBL17169261 | 0.76 | BACE1 (0.53) | BACE1BACE2CYP2D6CYP2C9KCNH2 |
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-2015156421-A1 | DIHYDROTHIAZINE AND DIHYDROOXAZINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2015-10-15 | — | — | WO | disclosed |