Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 2/20 | 0.41 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.38 |
| ▸ | ADH5 | P11766 | 1/20 | 0.36 |
| ▸ | GCGR | P47871 | 4/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 6/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 6/20 | 0.36 |
| ▸ | PPARD | Q03181 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.34 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL474247 | 0.91 | TNKS2 (0.39) | SRD5A2TNKS2ADH5GCGRAKR1C3 | |
| SCHEMBL12163997 | 0.91 | TNKS2 (0.39) | SRD5A2TNKS2ADH5GCGRAKR1C3 | |
| SCHEMBL12163973 | 0.84 | SMN1; SMN2 (0.37) | ALDH1A1SMN1; SMN2GLAKDM4EBRD4 | |
| SCHEMBL474437 | 0.84 | SMN1; SMN2 (0.37) | ALDH1A1SMN1; SMN2GLAKDM4EBRD4 | |
| SCHEMBL474580 | 0.84 | AKR1C3 (0.38) | GCGRAKR1C3AKR1C2SMN1; SMN2BRD4 | |
| SCHEMBL474633 | 0.82 | ALDH1A1 (0.41) | AKR1C3AKR1C2ALDH1A1SMN1; SMN2GLA | |
| SCHEMBL12163978 | 0.81 | AKR1C3 (0.37) | AKR1C3AKR1C2ALDH1A1SMN1; SMN2GLA | |
| SCHEMBL474443 | 0.81 | AKR1C3 (0.37) | AKR1C3AKR1C2ALDH1A1SMN1; SMN2GLA | |
| SCHEMBL15520758 | 0.78 | BRD4 (0.38) | SRD5A2GCGRAKR1C3AKR1C2ALDH1A1 | |
| SCHEMBL12163974 | 0.78 | CMA1 (0.36) | AKR1C2ALDH1A1SMN1; SMN2GLABRD4 |
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-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 |
| WO-2010108903-A1 | 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-30 | — | — | WO | disclosed |