Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 16/20 | 0.65 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.65 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.63 |
| ▸ | BACE2 | Q9Y5Z0 | 8/20 | 0.58 |
| ▸ | CTSD | P07339 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL3300708 | 0.91 | BACE1 (0.79) | BACE1KCNH2CYP2D6BACE2 | |
| SCHEMBL3300713 | 0.91 | BACE1 (0.79) | BACE1KCNH2CYP2D6BACE2 | |
| SCHEMBL3301697 | 0.91 | BACE1 (0.68) | BACE1KCNH2CYP2D6BACE2CTSD | |
| SCHEMBL9888434 | 0.91 | BACE1 (0.71) | BACE1KCNH2CYP2D6BACE2 | |
| SCHEMBL9888432 | 0.91 | BACE1 (0.71) | BACE1KCNH2CYP2D6BACE2 | |
| SCHEMBL3301702 | 0.91 | BACE1 (0.68) | BACE1KCNH2CYP2D6BACE2CTSD | |
| SCHEMBL3301667 | 0.89 | BACE1 (0.69) | BACE1KCNH2CYP2D6BACE2CTSD | |
| SCHEMBL3301670 | 0.89 | BACE1 (0.69) | BACE1KCNH2CYP2D6BACE2CTSD | |
| SCHEMBL7916607 | 0.89 | BACE1 (0.82) | BACE1KCNH2CYP2D6BACE2 | |
| SCHEMBL16649390 | 0.88 | BACE1 (0.68) | BACE1KCNH2CYP2D6BACE2 |
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-2010038686-A1 | NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE | エーザイ・アール・アンド・ディー・マネジメント株式会社 (JP) | 2010-04-08 | — | — | WO | disclosed |