Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 1.00 |
| ▸ | BACE2 | Q9Y5Z0 | 11/20 | 1.00 |
| ▸ | KCNH1 | O95259 | 1/20 | 0.80 |
| ▸ | APP | P05067 | 3/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL16311268 | 0.93 | BACE1 (1.00) | BACE1BACE2KCNH1APPCYP3A4 | |
| SCHEMBL17728098 | 0.89 | BACE1 (1.00) | BACE1BACE2KCNH1APPCYP3A4 | |
| SCHEMBL17728096 | 0.88 | BACE1 (1.00) | BACE1BACE2KCNH1APPCYP3A4 | |
| SCHEMBL17728103 | 0.87 | BACE1 (0.85) | BACE1BACE2KCNH1APP | |
| SCHEMBL17728102 | 0.85 | BACE1 (1.00) | BACE1BACE2KCNH1APP | |
| SCHEMBL17699486 | 0.84 | BACE1 (0.81) | BACE1BACE2KCNH1APPCYP3A4 | |
| SCHEMBL12524580 | 0.84 | BACE1 (0.80) | BACE1BACE2KCNH1APPCYP3A4 | |
| SCHEMBL16312251 | 0.84 | BACE1 (0.80) | BACE1BACE2KCNH1APPCYP3A4 | |
| SCHEMBL17728087 | 0.84 | BACE1 (1.00) | BACE1BACE2KCNH1APPCYP3A4 | |
| SCHEMBL14876661 | 0.83 | BACE1 (1.00) | BACE1BACE2APPCYP3A4 |
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-3008065-B1 | 4-AMINO-6-PHENYL-6,7-DIHYDRO[1,2,3]TRIAZOLO[1,5-A]PYRAZINE DERIVATIVES AS INHIBITORS OF BETA-SECRETASE (BACE) | JANSSEN PHARMACEUTICA NV (BE) | 2019-01-30 | — | — | EP | claimed |
| EP-3008065-B1 | 4-AMINO-6-PHENYL-6,7-DIHYDRO[1,2,3]TRIAZOLO[1,5-A]PYRAZINE DERIVATIVES AS INHIBITORS OF BETA-SECRETASE (BACE) | JANSSEN PHARMACEUTICA NV (BE) | 2019-01-30 | — | — | EP | disclosed |