Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | GPX4 | P36969 | 1/20 | 0.31 |
| ▸ | SERPINE1 | P05121 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL733116 | 0.87 | ALDH1A1 (0.42) | ALDH1A1GPX4SERPINE1 | |
| SCHEMBL23853053 | 0.86 | ALDH1A1 (0.33) | ALDH1A1GPX4SERPINE1 | |
| SCHEMBL8626000 | 0.85 | ALDH1A1 (0.41) | ALDH1A1GPX4SERPINE1 | |
| SCHEMBL10524835 | 0.83 | ALDH1A1 (0.42) | ALDH1A1GPX4SERPINE1 | |
| SCHEMBL2759861 | 0.80 | ALDH1A1 (0.41) | ALDH1A1GPX4SERPINE1 | |
| SCHEMBL809282 | 0.79 | ALDH1A1 (0.46) | ALDH1A1GPX4 | |
| SCHEMBL15623955 | 0.77 | ALDH1A1 (0.39) | ALDH1A1GPX4SERPINE1 | |
| SCHEMBL31495862 | 0.77 | CHRM2 (0.45) | ALDH1A1GPX4 | |
| SCHEMBL5502908 | 0.77 | GSR (0.40) | ALDH1A1GPX4 | |
| SCHEMBL151295 | 0.77 | CYP19A1 (0.42) | ALDH1A1GPX4 |
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-2711381-A1 | NOVEL COMPOUND, COMPOSITION CONTAINING SAID COMPOUND, AND CURED PRODUCT | Mitsui Chemicals, Inc. (JP) | 2014-03-26 | — | — | EP | disclosed |
| EP-2710994-A1 | DENTAL MATERIAL, DENTAL MATERIAL COMPOSITION, DENTAL REPAIR MATERIAL, AND CURED PRODUCT | Mitsui Chemicals, Inc. (JP) | 2014-03-26 | — | — | EP | disclosed |