Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 12/20 | 0.42 |
| ▸ | APP | P05067 | 4/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | BACE2 | Q9Y5Z0 | 6/20 | 0.34 |
| ▸ | KCNH1 | O95259 | 4/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9958618 | 0.87 | BACE1 (0.40) | BACE1APPKCNH2BACE2KCNH1 | |
| SCHEMBL9958591 | 0.82 | BACE1 (0.47) | BACE1APPKCNH2BACE2KCNH1 | |
| SCHEMBL9958599 | 0.82 | BACE1 (0.47) | BACE1APPKCNH2BACE2KCNH1 | |
| SCHEMBL27926928 | 0.76 | BACE1 (0.49) | BACE1APPKCNH2BACE2KCNH1 | |
| SCHEMBL15311632 | 0.75 | BACE1 (0.60) | BACE1APPKCNH2BACE2KCNH1 | |
| SCHEMBL27926929 | 0.74 | BACE1 (0.35) | BACE1APPKCNH2BACE2KCNH1 | |
| SCHEMBL27924839 | 0.74 | BACE1 (0.38) | BACE1APPKCNH2BACE2KCNH1 | |
| SCHEMBL9959347 | 0.72 | BACE1 (0.43) | BACE1APPKCNH2BACE2KCNH1 | |
| SCHEMBL27944342 | 0.72 | BACE1 (0.33) | BACE1APPKCNH2BACE2KCNH1 | |
| SCHEMBL9959083 | 0.72 | BACE1 (0.56) | BACE1APPKCNH2BACE2KCNH1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2655376-A1 | 5,6-DIHYDRO-IMIDAZO[1,2-a]PYRAZIN-8-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) | Janssen Pharmaceutica NV (BE) | 2013-10-30 | — | — | EP | disclosed |
| WO-2012085038-A1 | 5,6-DIHYDRO-IMIDAZO[1,2-a]PYRAZIN-8-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) | JANSSEN PHARMACEUTICA NV (BE) | 2012-06-28 | — | — | WO | disclosed |