Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 2/20 | 0.39 |
| ▸ | HMGCR | P04035 | 2/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | RHOC | P08134 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | SIRT6 | Q8N6T7 | 2/20 | 0.39 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | RXRA | P19793 | 1/20 | 0.39 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.39 |
| ▸ | CCKAR | P32238 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9695065 | 1.00 | ABCB11 (0.39) | ABCB11HMGCRNR1I2RHOCCYP3A4 | |
| SCHEMBL9302561 | 0.89 | CYP2C9 (0.42) | ABCB11HMGCRCYP2C9SIRT6ABCC3 | |
| SCHEMBL9302552 | 0.89 | CYP2C9 (0.42) | ABCB11HMGCRCYP2C9SIRT6ABCC3 | |
| SCHEMBL9696241 | 0.85 | HMGCR (0.38) | HMGCR | |
| SCHEMBL9780976 | 0.84 | CYP2C9 (0.31) | ABCB11HMGCRCYP2C9SIRT6ABCC3 | |
| SCHEMBL9657693 | 0.83 | HMGCR (0.44) | ABCB11HMGCRNR1I2RHOCCYP3A4 | |
| SCHEMBL9696496 | 0.79 | HMGCR (0.39) | ABCB11HMGCRNR1I2RHOCCYP3A4 | |
| SCHEMBL9696492 | 0.79 | HMGCR (0.39) | ABCB11HMGCRNR1I2RHOCCYP3A4 | |
| SCHEMBL9695383 | 0.79 | HMGCR (0.37) | ABCB11HMGCRNR1I2RHOCCYP3A4 | |
| SCHEMBL6944714 | 0.78 | HMGCR (0.40) | HMGCR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5124453-A | Treatment of corresponding aldehyde with lithium bis(tri-methylsilyl)amide | E. R. SQUIBB & SONS, INC. (US) | 1992-06-23 | — | — | US | disclosed |
| EP-0444532-A1 | Phosphorus-containing HMG-CoA reductase inhibitors, new intermediates and method | E.R. SQUIBB & SONS, INC. (US) | 1991-09-04 | — | — | EP | disclosed |
| US-5025000-A | Anticholesterol, antilipemic agents | E. R. SQUIBB & SONS, INC. (US) | 1991-06-18 | — | — | US | disclosed |