Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.70 |
| ▸ | BACE2 | Q9Y5Z0 | 9/20 | 0.70 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL18192877 | 1.00 | BACE1 (0.70) | BACE1BACE2KCNH2CYP2D6 | |
| SCHEMBL933409 | 0.93 | BACE1 (0.80) | BACE1BACE2KCNH2CYP2D6 | |
| SCHEMBL12694642 | 0.93 | BACE1 (0.80) | BACE1BACE2KCNH2CYP2D6 | |
| SCHEMBL18192879 | 0.92 | BACE1 (0.59) | BACE1BACE2KCNH2 | |
| SCHEMBL2620122 | 0.89 | BACE1 (0.87) | BACE1BACE2KCNH2CYP2D6 | |
| SCHEMBL2932592 | 0.89 | BACE1 (0.87) | BACE1BACE2KCNH2CYP2D6 | |
| SCHEMBL18192930 | 0.87 | BACE1 (0.66) | BACE1BACE2KCNH2CYP2D6 | |
| SCHEMBL18192869 | 0.87 | BACE1 (0.66) | BACE1BACE2KCNH2CYP2D6 | |
| SCHEMBL968113 | 0.85 | BACE1 (0.75) | BACE1BACE2KCNH2CYP2D6 | |
| SCHEMBL18192909 | 0.85 | BACE1 (0.68) | BACE1BACE2KCNH2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2451793-B1 | BACE INHIBITORS | LILLY CO ELI (US) | 2016-11-02 | — | — | EP | disclosed |