Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.65 |
| ▸ | APP | P05067 | 2/20 | 0.58 |
| ▸ | BACE2 | Q9Y5Z0 | 12/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | KCNH1 | O95259 | 4/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL2154072 | 0.92 | BACE1 (0.66) | BACE1APPBACE2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL2154301 | 0.91 | BACE1 (0.65) | BACE1APPBACE2CYP3A4CYP2D6 | |
| SCHEMBL2154111 | 0.91 | BACE1 (0.65) | BACE1APPBACE2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL2153318 | 0.90 | BACE1 (0.64) | BACE1APPBACE2CYP3A4CYP2D6 | |
| SCHEMBL2154454 | 0.88 | BACE1 (0.83) | BACE1APPBACE2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL2154153 | 0.87 | BACE1 (0.82) | BACE1APPBACE2CYP3A4CYP2D6 | |
| SCHEMBL2160522 | 0.84 | BACE1 (0.65) | BACE1APPBACE2CYP3A4CYP2D6 | |
| SCHEMBL2153892 | 0.84 | BACE1 (0.66) | BACE1APPBACE2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL2153270 | 0.83 | BACE1 (0.64) | BACE1APPBACE2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL2154078 | 0.83 | BACE1 (0.65) | BACE1APPBACE2CYP3A4CYP2D6 |
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-2011080176-A1 | PYRAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS | NOVARTIS AG (CH) | 2011-07-07 | — | — | WO | disclosed |