Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 11/20 | 0.77 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.77 |
| ▸ | SLCO1B1 | Q9Y6L6 | 3/20 | 0.77 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.77 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.77 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.77 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.77 |
| ▸ | RHOC | P08134 | 1/20 | 0.77 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.77 |
| ▸ | THRB | P10828 | 1/20 | 0.77 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.77 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.77 |
| ▸ | ABCC3 | O15438 | 2/20 | 0.68 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.68 |
| ▸ | SLCO1B3 | Q9NPD5 | 2/20 | 0.68 |
| ▸ | PDE6D | O43924 | 3/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL28392272 | 0.88 | HMGCR (0.98) | HMGCRABCB11SLCO1B1HDAC1HDAC2 | |
| SCHEMBL6764100 | 0.88 | HMGCR (0.98) | HMGCRABCB11SLCO1B1HDAC1HDAC2 | |
| SCHEMBL14526750 | 0.88 | HMGCR (0.77) | HMGCRABCB11SLCO1B1HDAC1HDAC2 | |
| Atorvastatin SCHEMBL4201645 | 0.87 | HMGCR (1.00) | HMGCRABCB11SLCO1B1HDAC1HDAC2 | |
| SCHEMBL21637576 | 0.87 | HMGCR (1.00) | HMGCRABCB11SLCO1B1HDAC1HDAC2 | |
| Atorvastatin SCHEMBL8257670 | 0.87 | HMGCR (1.00) | HMGCRABCB11SLCO1B1HDAC1HDAC2 | |
| Atorvastatin SCHEMBL3056792 | 0.87 | HMGCR (1.00) | HMGCRABCB11SLCO1B1HDAC1HDAC2 | |
| Atorvastatin SCHEMBL13900412 | 0.87 | HMGCR (1.00) | HMGCRABCB11SLCO1B1HDAC1HDAC2 | |
| Atorvastatin SCHEMBL465015 | 0.87 | HMGCR (1.00) | HMGCRABCB11SLCO1B1HDAC1HDAC2 | |
| Atorvastatin SCHEMBL6266705 | 0.87 | 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-2017060885-A1 | AN IMPROVED PROCESS FOR PREPARATION OF ATORVASTATIN OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF | LAURUS LABS PRIVATE LIMITED (IN) | 2017-04-13 | — | — | WO | disclosed |