Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 10/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | PDE6D | O43924 | 1/20 | 0.56 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.56 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.56 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.51 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | AKT1 | P31749 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11302965 | 1.00 | HMGCR (0.56) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL4079332 | 1.00 | HMGCR (0.56) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL4079319 | 1.00 | HMGCR (0.56) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL11295264 | 1.00 | HMGCR (0.56) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL4079327 | 1.00 | HMGCR (0.56) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL1022804 | 1.00 | HMGCR (0.56) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL1021915 | 1.00 | HMGCR (0.56) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL1021914 | 1.00 | HMGCR (0.56) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| Methylamine SCHEMBL3171823 | 0.99 | HMGCR (0.55) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| Diethanolamine SCHEMBL3162904 | 0.95 | HMGCR (0.52) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 |
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-2665722-A1 | PROCESS FOR THE PREPARATION OF DIOL SULFONES | DSM Sinochem Pharmaceuticals Netherlands B.V. (NL) | 2013-11-27 | — | — | EP | disclosed |
| WO-2012098048-A1 | PROCESS FOR THE PREPARATION OF DIOL SULFONES | DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) | 2012-07-26 | — | — | WO | disclosed |