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 | 0.83 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.97 |
| ▸ | SLCO1B1 | Q9Y6L6 | 3/20 | 0.97 |
| ▸ | ABCC3 | O15438 | 2/20 | 0.97 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.97 |
| ▸ | SLCO1B3 | Q9NPD5 | 2/20 | 0.97 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.83 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.83 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.83 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.83 |
| ▸ | RHOC | P08134 | 1/20 | 0.83 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.83 |
| ▸ | THRB | P10828 | 1/20 | 0.83 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.83 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.83 |
| ▸ | PDE6D | O43924 | 3/20 | 0.72 |
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 SCHEMBL27850403 | 0.99 | ABCB11 (0.98) | ABCB11SLCO1B1ABCC3ABCC4SLCO1B3 | |
| Atorvastatin SCHEMBL27701543 | 0.99 | ABCB11 (0.98) | ABCB11SLCO1B1ABCC3ABCC4SLCO1B3 | |
| Atorvastatin SCHEMBL137842 | 0.99 | ABCB11 (0.98) | ABCB11SLCO1B1ABCC3ABCC4SLCO1B3 | |
| Atorvastatin SCHEMBL28456 | 0.99 | ABCB11 (0.98) | ABCB11SLCO1B1ABCC3ABCC4SLCO1B3 | |
| Atorvastatin SCHEMBL249095 | 0.98 | ABCB11 (0.97) | ABCB11SLCO1B1ABCC3ABCC4SLCO1B3 | |
| Atorvastatin SCHEMBL137843 | 0.98 | ABCB11 (0.97) | ABCB11SLCO1B1ABCC3ABCC4SLCO1B3 | |
| Atorvastatin SCHEMBL3320399 | 0.98 | ABCB11 (0.97) | ABCB11SLCO1B1ABCC3ABCC4SLCO1B3 | |
| Atorvastatin SCHEMBL909379 | 0.98 | ABCB11 (0.97) | ABCB11SLCO1B1ABCC3ABCC4SLCO1B3 | |
| Atorvastatin SCHEMBL6064039 | 0.98 | ABCB11 (1.00) | ABCB11SLCO1B1ABCC3ABCC4SLCO1B3 | |
| Atorvastatin SCHEMBL5072672 | 0.98 | ABCB11 (1.00) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109265441-A | Quinazoline derivant | 天津和美奥康医药科技有限公司 | 2019-01-25 | — | — | CN | disclosed |
| CN-104710407-B | Quinazoline derivatives | 天津和美奥康医药科技有限公司 | 2018-07-06 | — | — | CN | disclosed |
| CN-104710407-A | Quinazoline derivatives | TIANJIN HEMEI MEDICINE SCIENCE & TECHNOLOGY CO LTD | 2015-06-17 | — | — | CN | disclosed |