Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 6/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | PDE6D | O43924 | 1/20 | 0.61 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.61 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.61 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.59 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.59 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.56 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.56 |
| ▸ | AKT1 | P31749 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3887767 | 0.98 | HMGCR (0.59) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL19474869 | 0.92 | ABCC3 (0.62) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL4150176 | 0.92 | ABCC3 (0.62) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL4538040 | 0.91 | ABCC3 (0.62) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL3305 | 0.91 | ABCC3 (0.57) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| Zinc Ion SCHEMBL3884322 | 0.90 | ABCC3 (0.60) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL17635504 | 0.88 | HMGCR (0.67) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL16401134 | 0.87 | ABCC3 (0.53) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL3885922 | 0.85 | HMGCR (0.62) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL3884325 | 0.84 | HMGCR (0.61) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012063115-A2 | PROCESS FOR THE PREPARATION OF ROSUVASTATIN CALCIUM VIA NOVEL AMINE INTERMEDIATE | JUBILANT LIFE SCIENCES LTD. (IN) | 2012-05-18 | — | — | WO | disclosed |