Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 1.00 |
| ▸ | BACE2 | Q9Y5Z0 | 11/20 | 1.00 |
| ▸ | KCNH1 | O95259 | 5/20 | 1.00 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.77 |
| ▸ | APP | P05067 | 3/20 | 0.74 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.70 |
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 | |
|---|---|---|---|---|
| SCHEMBL17704793 | 1.00 | BACE1 (1.00) | BACE1BACE2KCNH1KCNH2APP | |
| SCHEMBL17699479 | 0.89 | BACE1 (1.00) | BACE1BACE2KCNH1KCNH2APP | |
| SCHEMBL12524580 | 0.89 | BACE1 (0.80) | BACE1BACE2KCNH1APPCYP3A4 | |
| SCHEMBL16312251 | 0.89 | BACE1 (0.80) | BACE1BACE2KCNH1APPCYP3A4 | |
| SCHEMBL17704794 | 0.87 | BACE1 (1.00) | BACE1BACE2KCNH1KCNH2APP | |
| SCHEMBL12525338 | 0.86 | BACE1 (0.76) | BACE1BACE2KCNH1KCNH2APP | |
| SCHEMBL16312284 | 0.85 | BACE1 (0.78) | BACE1BACE2KCNH1KCNH2APP | |
| SCHEMBL17728098 | 0.85 | BACE1 (1.00) | BACE1BACE2KCNH1KCNH2APP | |
| SCHEMBL17771606 | 0.85 | BACE1 (1.00) | BACE1BACE2KCNH1KCNH2APP | |
| SCHEMBL16306344 | 0.84 | BACE1 (1.00) | BACE1BACE2KCNH1KCNH2APP |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9845326-B2 | Substituted 3,4-dihydropyrrolo[1,2-A]pyrazines as beta-secretase (BACE) inhibitors | JANSSEN PHARMACEUTICA NV (BE) | 2017-12-19 | — | — | US | disclosed |
| EP-2683721-B1 | 3,4-DIHYDRO-PYRROLO[1,2-a]PYRAZIN-1-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) | JANSSEN PHARMACEUTICA NV (BE) | 2015-01-28 | — | — | EP | disclosed |
| WO-2012120023-A1 | 3,4-DIHYDRO-PYRROLO[1,2-a]PYRAZIN-1-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) | JANSSEN PHARMACEUTICA NV (BE) | 2012-09-13 | — | — | WO | disclosed |