Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4612038 | 0.74 | ALDH1A1 (0.38) | ALDH1A1HTT | |
| SCHEMBL6354299 | 0.71 | ALDH1A1 (0.36) | ALDH1A1 | |
| SCHEMBL17160854 | 0.69 | ALDH1A1 (0.34) | ALDH1A1HTT | |
| SCHEMBL5801728 | 0.67 | ALDH1A1 (0.33) | ALDH1A1 | |
| Water SCHEMBL29953274 | 0.66 | NOTUM (0.39) | ALDH1A1 | |
| SCHEMBL87944 | 0.65 | ALOX15 (0.41) | ALDH1A1 | |
| SCHEMBL11545965 | 0.65 | MAPK1 (0.38) | ALDH1A1 | |
| SCHEMBL28658514 | 0.63 | ALOX15 (0.34) | — | |
| SCHEMBL780237 | 0.63 | — | — | |
| SCHEMBL16050347 | 0.63 | — | — |
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 |