Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.45 |
| ▸ | APP | P05067 | 4/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.45 |
| ▸ | BACE2 | Q9Y5Z0 | 11/20 | 0.41 |
| ▸ | CTSD | P07339 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10175533 | 0.91 | BACE1 (0.44) | BACE1APPCYP3A4BACE2 | |
| SCHEMBL10175534 | 0.90 | BACE1 (0.44) | BACE1APPCYP3A4BACE2 | |
| SCHEMBL10175085 | 0.90 | BACE1 (0.45) | BACE1APPCYP3A4BACE2 | |
| SCHEMBL15318255 | 0.90 | BACE1 (0.43) | BACE1APPCYP3A4BACE2CTSD | |
| SCHEMBL9959307 | 0.88 | BACE1 (0.43) | BACE1APPCYP3A4BACE2 | |
| SCHEMBL15311201 | 0.88 | BACE1 (0.43) | BACE1APPCYP3A4BACE2 | |
| SCHEMBL9959138 | 0.88 | BACE1 (0.43) | BACE1APPCYP3A4BACE2 | |
| SCHEMBL9958489 | 0.86 | BACE1 (0.42) | BACE1APPCYP3A4BACE2CTSD | |
| SCHEMBL9959321 | 0.86 | BACE1 (0.43) | BACE1APPCYP3A4BACE2 | |
| SCHEMBL19244690 | 0.84 | BACE1 (0.56) | BACE1APPBACE2CTSD |
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 |
|---|---|---|---|---|---|---|---|
| EP-2655376-B1 | 5,6-DIHYDRO-IMIDAZO[1,2-a]PYRAZIN-8-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) | JANSSEN PHARMACEUTICA NV (BE) | 2017-08-23 | — | — | EP | disclosed |