Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 11/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | RHOC | P08134 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.34 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.32 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9695389 | 1.00 | HMGCR (0.37) | HMGCRABCB11NR1I2RHOCCYP3A4 | |
| SCHEMBL9696605 | 0.85 | KMT2A (0.38) | HMGCRKMT2A | |
| SCHEMBL9696601 | 0.85 | KMT2A (0.38) | HMGCRKMT2A | |
| SCHEMBL9696814 | 0.84 | — | — | |
| SCHEMBL9696808 | 0.84 | — | — | |
| SCHEMBL9696237 | 0.82 | HMGCR (0.37) | HMGCRABCB11NR1I2RHOCCYP3A4 | |
| SCHEMBL9696231 | 0.82 | HMGCR (0.37) | HMGCRABCB11NR1I2RHOCCYP3A4 | |
| SCHEMBL9696228 | 0.80 | HMGCR (0.38) | HMGCRABCB11NR1I2RHOCCYP3A4 | |
| SCHEMBL9696239 | 0.80 | HMGCR (0.38) | HMGCRABCB11NR1I2RHOCCYP3A4 | |
| SCHEMBL9695383 | 0.80 | HMGCR (0.37) | HMGCRABCB11NR1I2RHOCCYP3A4 |
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 |