Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.85 |
| ▸ | BACE2 | Q9Y5Z0 | 12/20 | 0.85 |
| ▸ | APP | P05067 | 3/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | KCNH1 | O95259 | 5/20 | 0.64 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL16306344 | 0.92 | BACE1 (1.00) | BACE1BACE2APPCYP3A4KCNH1 | |
| SCHEMBL17699950 | 0.81 | BACE1 (0.81) | BACE1BACE2APPCYP3A4KCNH1 | |
| SCHEMBL16297066 | 0.81 | BACE1 (0.81) | BACE1BACE2APPCYP3A4 | |
| SCHEMBL17700070 | 0.81 | BACE1 (0.80) | BACE1BACE2APPCYP3A4KCNH1 | |
| SCHEMBL16312284 | 0.81 | BACE1 (0.78) | BACE1BACE2APPCYP3A4KCNH1 | |
| SCHEMBL17700028 | 0.81 | BACE1 (0.79) | BACE1BACE2APPCYP3A4KCNH1 | |
| SCHEMBL16297449 | 0.80 | BACE1 (0.58) | BACE1BACE2APPCYP3A4 | |
| SCHEMBL16312285 | 0.79 | BACE1 (0.75) | BACE1BACE2APPCYP3A4KCNH1 | |
| SCHEMBL16312260 | 0.79 | BACE1 (0.75) | BACE1BACE2APPCYP3A4KCNH1 | |
| SCHEMBL15311340 | 0.78 | BACE1 (0.81) | BACE1BACE2APPCYP3A4KCNH1 |
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-3008067-A1 | 4-AMINO-6-PHENYL-5,6-DIHYDROIMIDAZO[1,5-A]PYRAZIN-3(2H)-ONE DERIVATIVES AS INHIBITORS OF BETA-SECRETASE (BACE) | Janssen Pharmaceutica N.V. (BE) | 2016-04-20 | — | — | EP | disclosed |
| WO-2014198851-A1 | 4-AMINO-6-PHENYL-5,6-DIHYDROIMIDAZO[1,5-A]PYRAZIN-3(2H)-ONE DERIVATIVES AS INHIBITORS OF BETA-SECRETASE (BACE) | JANSSEN PHARMACEUTICA NV (BE) | 2014-12-18 | — | — | WO | disclosed |