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 | 10/20 | 1.00 |
| ▸ | SLCO1B1 | Q9Y6L6 | 4/20 | 1.00 |
| ▸ | ABCB11 | O95342 | 3/20 | 1.00 |
| ▸ | HDAC1 | Q13547 | 2/20 | 1.00 |
| ▸ | HDAC2 | Q92769 | 2/20 | 1.00 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 1.00 |
| ▸ | NR1I2 | O75469 | 1/20 | 1.00 |
| ▸ | RHOC | P08134 | 1/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 1/20 | 1.00 |
| ▸ | THRB | P10828 | 1/20 | 1.00 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 1.00 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 1.00 |
| ▸ | ABCC3 | O15438 | 2/20 | 0.87 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.87 |
| ▸ | SLCO1B3 | Q9NPD5 | 2/20 | 0.87 |
| ▸ | PDE6D | O43924 | 3/20 | 0.77 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.58 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL21637576 | 1.00 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL3056792 | 1.00 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL537781 | 1.00 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL4201645 | 1.00 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL13900412 | 1.00 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL8257670 | 1.00 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL3831 | 1.00 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL6266705 | 1.00 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL3930191 | 0.99 | HMGCR (0.98) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL7037657 | 0.99 | HMGCR (0.98) | 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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112641773-A | Composition containing heterocyclic compound and use thereof | 黄泳华 | 2021-04-13 | — | — | CN | claimed |
| CN-111184717-A | Composition containing mixture of pyrrolyl dihydroxy heptanoic acid derivatives and use thereof | 黄泳华 | 2020-05-22 | — | — | CN | claimed |
| CN-112641773-A | Composition containing heterocyclic compound and use thereof | 黄泳华 | 2021-04-13 | — | — | CN | disclosed |
| CN-111184717-A | Composition containing mixture of pyrrolyl dihydroxy heptanoic acid derivatives and use thereof | 黄泳华 | 2020-05-22 | — | — | CN | disclosed |
| US-9713614-B2 | Combination of HMG-CoA reductase inhibitors with phosphodiesterase 4 inhibitors for the treatment of inflammatory pulmonary diseases | ASTRAZENECA AB (SE) | 2017-07-25 | — | — | US | disclosed |
| US-9713614-B2 | Combination of HMG-CoA reductase inhibitors with phosphodiesterase 4 inhibitors for the treatment of inflammatory pulmonary diseases | ASTRAZENECA AB (SE) | 2017-07-25 | — | — | US | disclosed |
| US-9713614-B2 | Combination of HMG-CoA reductase inhibitors with phosphodiesterase 4 inhibitors for the treatment of inflammatory pulmonary diseases | ASTRAZENECA AB (SE) | 2017-07-25 | — | — | US | disclosed |
| US-20150272949-A1 | COMBINATION OF HMG-COA REDUCTASE INHIBITORS WITH PHOSPHODIESTERASE 4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY PULMONARY DISEASES | ASTRAZENECA AB (SE) | 2015-10-01 | — | — | US | disclosed |
| US-20150272949-A1 | COMBINATION OF HMG-COA REDUCTASE INHIBITORS WITH PHOSPHODIESTERASE 4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY PULMONARY DISEASES | ASTRAZENECA AB (SE) | 2015-10-01 | — | — | US | disclosed |
| US-20150272949-A1 | COMBINATION OF HMG-COA REDUCTASE INHIBITORS WITH PHOSPHODIESTERASE 4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY PULMONARY DISEASES | ASTRAZENECA AB (SE) | 2015-10-01 | — | — | US | disclosed |
| EP-2363130-B1 | Combination of HMG-CoA reductase inhibitors atorvastatin or simvastatin with a phosphodiesterase 4 inhibitor, such as roflumilast for the treatment of inflammatory pulmonary diseases | TAKEDA GMBH (DE) | 2014-05-07 | — | — | EP | disclosed |
| EP-2363130-A1 | Combination of HMG-CoA reductase inhibitors with phosphodiesterase 4 inhibitors for the treatment of inflammatory pulmonary diseases | Nycomed GmbH (DE) | 2011-09-07 | — | — | EP | disclosed |
| EP-2359826-A1 | Combination of HMG-COA reductase inhibitors, such as roflumilast, roflumilast-N-oxide with a phosphodiesterase 4 inhibitor, rosuvastatin, for the treatment of inflammatory pulmonary diseases | Nycomed GmbH (DE) | 2011-08-24 | — | — | EP | disclosed |
| EP-2359826-A1 | Combination of HMG-COA reductase inhibitors, such as roflumilast, roflumilast-N-oxide with a phosphodiesterase 4 inhibitor, rosuvastatin, for the treatment of inflammatory pulmonary diseases | Nycomed GmbH (DE) | 2011-08-24 | — | — | EP | disclosed |
| US-20110064816-A1 | ATORVASTATIN COMPOSITIONS | DR. REDDY'S LABORATORIES LTD. (IN) | 2011-03-17 | — | — | US | disclosed |
| US-20110064816-A1 | ATORVASTATIN COMPOSITIONS | DR. REDDY'S LABORATORIES LTD. (IN) | 2011-03-17 | — | — | US | disclosed |
| US-20100069392-A1 | Combination of HMG-COA Reductase Inhibitors with Phosphodiesterase 4 Inhibitors for the Treatment of Inflammatory Pulmonary Disease | NYCOMED GMBH (DE) | 2010-03-18 | — | — | US | disclosed |
| US-20100069392-A1 | Combination of HMG-COA Reductase Inhibitors with Phosphodiesterase 4 Inhibitors for the Treatment of Inflammatory Pulmonary Disease | NYCOMED GMBH (DE) | 2010-03-18 | — | — | US | disclosed |
| US-20100069392-A1 | Combination of HMG-COA Reductase Inhibitors with Phosphodiesterase 4 Inhibitors for the Treatment of Inflammatory Pulmonary Disease | NYCOMED GMBH (DE) | 2010-03-18 | — | — | US | disclosed |
| WO-2008003701-A2 | COMBINATION OF HMG-COA REDUCTASE INHIBITORS WITH PHOSPHODIESTERASE 4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY PULMONARY DISEASES | NYCOMED GMBH (DE) | 2008-01-10 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20150272949-A1 | COMBINATION OF HMG-COA REDUCTASE INHIBITORS WITH PHOSPHODIESTERASE 4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY PULMONARY DISEASES | HMGCR, HMGB3, PDE4A | HMGCR 1/4885SLCO1B1 2979/4885ABCB11 1831/4885 |
| US-20100069392-A1 | Combination of HMG-COA Reductase Inhibitors with Phosphodiesterase 4 Inhibitors for the Treatment of Inflammatory Pulmonary Disease | HMGCR, HMGB3, PDE4A | HMGCR 1/4885SLCO1B1 2453/4885ABCB11 1703/4885 |
| US-20110064816-A1 | ATORVASTATIN COMPOSITIONS | HMGCR, PCSK9, LIPA | HMGCR 1/4885SLCO1B1 48/4885ABCB11 122/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.