Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.36 |
| ▸ | BRPF1 | P55201 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | BRD4 | O60885 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | CMA1 | P23946 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.34 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.34 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.33 |
| ▸ | TTR | P02766 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL473904 | 0.86 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2AKR1C3AKR1C2 | |
| SCHEMBL474051 | 0.85 | ALDH1A1 (0.39) | ALDH1A1S1PR1PRKAG1PRKAA1PRKAB1 | |
| SCHEMBL474933 | 0.84 | PPARG (0.39) | ALDH1A1SMN1; SMN2BRPF1KDM4EBRD4 | |
| SCHEMBL474247 | 0.83 | TNKS2 (0.39) | ALDH1A1SMN1; SMN2GLABRPF1KDM4E | |
| SCHEMBL12163997 | 0.83 | TNKS2 (0.39) | ALDH1A1SMN1; SMN2GLABRPF1KDM4E | |
| SCHEMBL474508 | 0.82 | SRD5A2 (0.41) | ALDH1A1SMN1; SMN2GLABRPF1KDM4E | |
| SCHEMBL474443 | 0.81 | AKR1C3 (0.37) | ALDH1A1SMN1; SMN2GLABRPF1AKR1C3 | |
| SCHEMBL12163978 | 0.81 | AKR1C3 (0.37) | ALDH1A1SMN1; SMN2GLABRPF1AKR1C3 | |
| SCHEMBL474483 | 0.81 | SMN1; SMN2 (0.35) | ALDH1A1SMN1; SMN2GLAMAPK14BRPF1 | |
| SCHEMBL474521 | 0.81 | TP53 (0.39) | ALDH1A1SMN1; SMN2GLAHTTMAPK14 |
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-2411365-A1 | 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2012-02-01 | — | — | EP | disclosed |