Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 11/20 | 0.89 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.89 |
| ▸ | SLCO1B1 | Q9Y6L6 | 3/20 | 0.89 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.89 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.89 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.89 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.89 |
| ▸ | RHOC | P08134 | 1/20 | 0.89 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.89 |
| ▸ | THRB | P10828 | 1/20 | 0.89 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.89 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.89 |
| ▸ | ABCC3 | O15438 | 2/20 | 0.78 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.78 |
| ▸ | SLCO1B3 | Q9NPD5 | 2/20 | 0.78 |
| ▸ | PDE6D | O43924 | 3/20 | 0.70 |
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 | |
|---|---|---|---|---|
| Bemfivastatin SCHEMBL517400 | 1.00 | HMGCR (0.89) | HMGCRABCB11SLCO1B1HDAC1HDAC2 | |
| Bemfivastatin SCHEMBL4727724 | 1.00 | HMGCR (0.89) | HMGCRABCB11SLCO1B1HDAC1HDAC2 | |
| Bemfivastatin SCHEMBL1900386 | 1.00 | HMGCR (0.89) | HMGCRABCB11SLCO1B1HDAC1HDAC2 | |
| Bemfivastatin SCHEMBL29441844 | 0.96 | ABCB11 (0.86) | HMGCRABCB11SLCO1B1HDAC1HDAC2 | |
| SCHEMBL28548478 | 0.95 | HMGCR (0.98) | HMGCRABCB11SLCO1B1HDAC1HDAC2 | |
| SCHEMBL6769237 | 0.95 | HMGCR (0.98) | HMGCRABCB11SLCO1B1HDAC1HDAC2 | |
| SCHEMBL13412147 | 0.95 | HMGCR (0.79) | HMGCRABCB11SLCO1B1HDAC1HDAC2 | |
| Atorvastatin SCHEMBL14645195 | 0.94 | HMGCR (0.97) | HMGCRABCB11SLCO1B1HDAC1HDAC2 | |
| SCHEMBL6761283 | 0.94 | HMGCR (0.97) | HMGCRABCB11SLCO1B1HDAC1HDAC2 | |
| Atorvastatin SCHEMBL4201645 | 0.94 | HMGCR (1.00) | HMGCRABCB11SLCO1B1HDAC1HDAC2 |
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-2016159666-A2 | CRYSTAL FORM AND PREPARATION METHOD THEREFOR | 대원제약주식회사 | 2016-10-06 | — | — | WO | disclosed |