Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Atorvastatin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR known ✓ | P04035 | 9/20 | 0.92 |
| ▸ | SLCO1B1 | Q9Y6L6 | 4/20 | 0.92 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.92 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.92 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.92 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.92 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.92 |
| ▸ | RHOC | P08134 | 1/20 | 0.92 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.92 |
| ▸ | THRB | P10828 | 1/20 | 0.92 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.92 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.92 |
| ▸ | ABCC3 | O15438 | 2/20 | 0.81 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.81 |
| ▸ | SLCO1B3 | Q9NPD5 | 2/20 | 0.81 |
| ▸ | PDE6D | O43924 | 4/20 | 0.74 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.54 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| Atorvastatin SCHEMBL14645195 | 0.98 | HMGCR (0.97) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL8257670 | 0.96 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL6266705 | 0.96 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL3831 | 0.96 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL13900412 | 0.96 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL3056792 | 0.96 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL465015 | 0.96 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL4201645 | 0.96 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| SCHEMBL21637576 | 0.96 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL537781 | 0.96 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 |
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-9254268-B2 | Compositions comprising lipophilic active compounds and method for their preparation | SOLUBEST LTD. (IL) | 2016-02-09 | — | — | US | claimed |
| US-20090098200-A1 | COMPOSITIONS COMPRISING LIPOPHILIC ACTIVE COMPOUNDS AND METHOD FOR THEIR PREPARATION | SOLUBEST LTD. (IL) | 2009-04-16 | — | — | US | claimed |
| EP-2601935-A1 | Compositions comprising lipophilic active compounds and method for their preparation | Solubest Ltd. (IL) | 2013-06-12 | — | — | EP | disclosed |