Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 7/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | PDE6D | O43924 | 1/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.40 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8953023 | 1.00 | HMGCR (0.53) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL9261685 | 0.88 | HMGCR (0.46) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL9261677 | 0.88 | HMGCR (0.46) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL8952872 | 0.84 | HMGCR (0.54) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL8952863 | 0.84 | HMGCR (0.54) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL8953313 | 0.83 | HMGCR (0.49) | HMGCR | |
| SCHEMBL8953297 | 0.83 | HMGCR (0.49) | HMGCR | |
| SCHEMBL10434305 | 0.82 | HMGCR (0.53) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL10434303 | 0.82 | HMGCR (0.53) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL10474682 | 0.80 | HMGCR (0.42) | 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 |
|---|---|---|---|---|---|---|---|
| US-5506219-A | ANTICHOLESTEROL AND ANTILIPEMIC AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1996-04-09 | — | — | US | disclosed |
| EP-0356788-A2 | Quinoline and pyridine anchors for HMG-CoA reductase inhibitors | E.R. SQUIBB & SONS, INC. (US) | 1990-03-07 | — | — | EP | disclosed |