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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR known ✓ | P04035 | 3/20 | 0.86 |
| ▸ | ABCB11 | O95342 | 3/20 | 1.00 |
| ▸ | SLCO1B1 | Q9Y6L6 | 3/20 | 1.00 |
| ▸ | ABCC3 | O15438 | 2/20 | 1.00 |
| ▸ | ABCC4 | O15439 | 2/20 | 1.00 |
| ▸ | SLCO1B3 | Q9NPD5 | 2/20 | 1.00 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.86 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.86 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.86 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.86 |
| ▸ | RHOC | P08134 | 1/20 | 0.86 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.86 |
| ▸ | THRB | P10828 | 1/20 | 0.86 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.86 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.86 |
| ▸ | PDE6D | O43924 | 3/20 | 0.74 |
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 SCHEMBL7037659 | 1.00 | ABCB11 (1.00) | ABCB11SLCO1B1ABCC3ABCC4SLCO1B3 | |
| Atorvastatin SCHEMBL3832 | 1.00 | ABCB11 (1.00) | ABCB11SLCO1B1ABCC3ABCC4SLCO1B3 | |
| Atorvastatin SCHEMBL6064039 | 1.00 | ABCB11 (1.00) | ABCB11SLCO1B1ABCC3ABCC4SLCO1B3 | |
| Atorvastatin SCHEMBL5072672 | 1.00 | ABCB11 (1.00) | ABCB11SLCO1B1ABCC3ABCC4SLCO1B3 | |
| Atorvastatin SCHEMBL7102147 | 0.99 | ABCB11 (0.98) | ABCB11SLCO1B1ABCC3ABCC4SLCO1B3 | |
| Atorvastatin SCHEMBL5077129 | 0.99 | ABCB11 (0.98) | ABCB11SLCO1B1ABCC3ABCC4SLCO1B3 | |
| Atorvastatin SCHEMBL4668716 | 0.99 | ABCB11 (0.98) | ABCB11SLCO1B1ABCC3ABCC4SLCO1B3 | |
| Atorvastatin SCHEMBL153886 | 0.99 | ABCB11 (0.98) | ABCB11SLCO1B1ABCC3ABCC4SLCO1B3 | |
| Atorvastatin SCHEMBL1535888 | 0.99 | ABCB11 (0.98) | ABCB11SLCO1B1ABCC3ABCC4SLCO1B3 | |
| Atorvastatin SCHEMBL28456 | 0.99 | ABCB11 (0.98) | ABCB11SLCO1B1ABCC3ABCC4SLCO1B3 |
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-2002083637-A1 | PROCESS FOR THE PRODUCTION OF AMORPHOUS ATORVASTATIN CALCIUM | CADILA HEALTHCARE LIMITED (IN) | 2002-10-24 | — | — | WO | disclosed |