Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 13/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | BACE2 | Q9Y5Z0 | 2/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | BRAF | P15056 | 1/20 | 0.34 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.34 |
| ▸ | GNRHR | P30968 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7918850 | 1.00 | BACE1 (0.43) | BACE1KCNH2CYP2D6BACE2DRD2 | |
| SCHEMBL9913097 | 1.00 | BACE1 (0.43) | BACE1KCNH2CYP2D6BACE2DRD2 | |
| SCHEMBL8030093 | 0.92 | BACE1 (0.44) | BACE1KCNH2CYP2D6BACE2DRD2 | |
| SCHEMBL13009269 | 0.92 | BACE1 (0.44) | BACE1KCNH2CYP2D6BACE2DRD2 | |
| SCHEMBL12391065 | 0.91 | NPC1 (0.37) | BACE1KCNH2CYP2D6DRD2ALDH1A1 | |
| SCHEMBL9913101 | 0.89 | BACE1 (0.46) | BACE1KCNH2CYP2D6DRD2HTT | |
| SCHEMBL7923706 | 0.89 | BACE1 (0.46) | BACE1KCNH2CYP2D6DRD2HTT | |
| SCHEMBL2619807 | 0.88 | BACE2 (0.43) | BACE1KCNH2CYP2D6BACE2DRD2 | |
| SCHEMBL3302018 | 0.88 | BACE1 (0.45) | BACE1KCNH2CYP2D6BACE2ALDH1A1 | |
| SCHEMBL3302012 | 0.88 | BACE1 (0.45) | BACE1KCNH2CYP2D6BACE2ALDH1A1 |
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 |