Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 16/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.33 |
| ▸ | BACE2 | Q9Y5Z0 | 3/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | WNT3A | P56704 | 1/20 | 0.31 |
| ▸ | IDH1 | O75874 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9913099 | 1.00 | BACE1 (0.53) | BACE1KCNH2CYP2D6AAK1BACE2 | |
| SCHEMBL7918201 | 1.00 | BACE1 (0.53) | BACE1KCNH2CYP2D6AAK1BACE2 | |
| SCHEMBL3298246 | 0.89 | BACE1 (0.57) | BACE1KCNH2CYP2D6BACE2WNT3A | |
| SCHEMBL16649356 | 0.89 | BACE1 (0.57) | BACE1KCNH2CYP2D6BACE2WNT3A | |
| SCHEMBL7918852 | 0.89 | BACE1 (0.49) | BACE1KCNH2CYP2D6BACE2 | |
| SCHEMBL7924407 | 0.89 | BACE1 (0.49) | BACE1KCNH2CYP2D6BACE2 | |
| SCHEMBL7923706 | 0.88 | BACE1 (0.46) | BACE1KCNH2CYP2D6WNT3AIDH1 | |
| SCHEMBL9913101 | 0.88 | BACE1 (0.46) | BACE1KCNH2CYP2D6WNT3AIDH1 | |
| SCHEMBL12391080 | 0.88 | BACE1 (0.43) | BACE1KCNH2CYP2D6AAK1BACE2 | |
| SCHEMBL2619979 | 0.87 | BACE1 (0.38) | BACE1KCNH2BACE2IDH1 |
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 |