Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 16/20 | 0.75 |
| ▸ | BACE2 | Q9Y5Z0 | 12/20 | 0.75 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.60 |
| ▸ | CTSD | P07339 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL11023318 | 0.93 | BACE1 (0.76) | BACE1BACE2KCNH2CTSDCYP2D6 | |
| SCHEMBL11024332 | 0.93 | BACE1 (0.76) | BACE1BACE2KCNH2CTSDCYP2D6 | |
| SCHEMBL11023556 | 0.92 | BACE1 (0.88) | BACE1BACE2KCNH2CTSD | |
| SCHEMBL11021744 | 0.92 | BACE1 (0.88) | BACE1BACE2KCNH2CTSD | |
| SCHEMBL11938683 | 0.91 | BACE1 (0.83) | BACE1BACE2KCNH2CTSDCYP2D6 | |
| SCHEMBL11028521 | 0.90 | BACE1 (0.73) | BACE1BACE2KCNH2 | |
| SCHEMBL13177369 | 0.90 | BACE1 (0.78) | BACE1BACE2KCNH2CYP2D6 | |
| SCHEMBL11027060 | 0.90 | BACE1 (0.72) | BACE1BACE2KCNH2CTSDCYP2D6 | |
| SCHEMBL11027163 | 0.90 | BACE1 (0.72) | BACE1BACE2KCNH2CYP2D6 | |
| SCHEMBL11025024 | 0.90 | BACE1 (0.72) | BACE1BACE2KCNH2CTSDCYP2D6 |
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-2012098213-A1 | FUSED AMINODIHYDROTHIAZINE DERIVATIVES USEFUL AS BACE INHIBITORS | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2012-07-26 | — | — | WO | disclosed |