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 | 0.98 |
| ▸ | SLCO1B1 | Q9Y6L6 | 4/20 | 0.98 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.98 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.98 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.98 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.98 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.98 |
| ▸ | RHOC | P08134 | 1/20 | 0.98 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.98 |
| ▸ | THRB | P10828 | 1/20 | 0.98 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.98 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.98 |
| ▸ | ABCC3 | O15438 | 2/20 | 0.86 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.86 |
| ▸ | SLCO1B3 | Q9NPD5 | 2/20 | 0.86 |
| ▸ | PDE6D | O43924 | 3/20 | 0.76 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.57 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.57 |
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 SCHEMBL7037657 | 1.00 | HMGCR (0.98) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL28457 | 1.00 | HMGCR (0.98) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL28270206 | 1.00 | HMGCR (0.98) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL28252417 | 0.99 | HMGCR (0.97) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL19469652 | 0.99 | HMGCR (0.97) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| SCHEMBL6761283 | 0.99 | HMGCR (0.97) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL26978250 | 0.99 | HMGCR (0.97) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL34266 | 0.99 | HMGCR (0.97) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL5799062 | 0.99 | HMGCR (0.97) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL14968747 | 0.99 | HMGCR (0.97) | 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-113189648-B | Method for predicting brittleness index of orthotropic shale | 西南石油大学 | 2022-03-11 | — | — | CN | claimed |
| CN-113189648-A | Method for predicting brittleness index of orthotropic shale | 西南石油大学 | 2021-07-30 | — | — | CN | claimed |
| CN-117618371-A | Preparation method of amlodipine atorvastatin calcium tablet | 昆山龙灯瑞迪制药有限公司 | 2024-03-01 | — | — | CN | disclosed |
| CN-113189648-B | Method for predicting brittleness index of orthotropic shale | 西南石油大学 | 2022-03-11 | — | — | CN | disclosed |
| CN-114020408-A | Task fragment configuration method and device, equipment and storage medium | 北京沃东天骏信息技术有限公司 | 2022-02-08 | — | — | CN | disclosed |
| CN-113189648-A | Method for predicting brittleness index of orthotropic shale | 西南石油大学 | 2021-07-30 | — | — | CN | disclosed |
| CN-111362856-A | Method for producing atorvastatin calcium by using micro-reaction device | 福建海西新药创制有限公司 | 2020-07-03 | — | — | CN | disclosed |
| CN-110776451-B | Preparation method of I-type atorvastatin calcium | 湖南迪诺制药股份有限公司 | 2020-05-22 | — | — | CN | disclosed |
| CN-110776451-A | Preparation method of I-type atorvastatin calcium | 湖南迪诺制药股份有限公司 | 2020-02-11 | — | — | CN | disclosed |
| CN-110327285-A | The preparation method of Statins ointment and its application in treatment porokeratosis of Mibelli | 张正华 | 2019-10-15 | — | — | CN | disclosed |
| CN-103641764-B | Pharmaceutical composition for regulating blood fat | Beijing Sanquan Pharmaceutical Technology Co.,Ltd. (CN) | 2015-12-02 | — | — | CN | disclosed |
| CN-103641764-A | pharmaceutical composition for regulating blood fat | LI XINGHUI | 2014-03-19 | — | — | CN | disclosed |
| CN-103054856-A | Solid oral preparation containing metformin hydrochloride and atorvastatin calcium | CHENGDU HENGRUI PHARMACEUTICAL | 2013-04-24 | — | — | CN | disclosed |
| CN-103054888-A | Solid oral preparation containing acarbose and atorvastatin calcium and preparation method of solid oral preparation | CHENGDU HENGRUI PHARMACEUTICAL | 2013-04-24 | — | — | CN | disclosed |
| CN-102008440-B | Solid preparation of atorvastatin calcium liposome | HAINAN MEIDA PHARMACEUTICAL CO | 2012-01-11 | — | — | CN | disclosed |
| CN-102188419-A | Single preparations containing fenofibrate and atorvastatin | SHANGHAI TIANLONG PHARMACEUTICAL CO LTD | 2011-09-21 | — | — | CN | disclosed |
| CN-102008440-A | Solid preparation of atorvastatin calcium liposome | HAINAN MEIDA PHARMACEUTICAL CO | 2011-04-13 | — | — | CN | disclosed |
| CN-101426503-A | Compositions and methods of treatment for inhibiting kinase and/or HMG-COA reductase | PHARMIX CORP (US) | 2009-05-06 | — | — | CN | disclosed |
| US-7361771-B2 | Process for the synthesis of 5-(4-fluorophenyl)-1-[2-((2R,4R)-4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-2-isopropyl-4-phenyl-1H-pyrrole-3-carboxylic acid phenylamide | WARNER-LAMBERT COMPANY (US) | 2008-04-22 | — | — | US | disclosed |
| US-20070032664-A1 | Novel process for the synthesis of 5-(4-fluorophenyl)-1-[2-((2R,4R)-4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-2-isopropyl-4-phenyl-1H-pyrrole-3-carboxylic acid phenylamide | BUTLER DONALD E | 2007-02-08 | — | — | US | 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 (1 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-20070032664-A1 | Novel process for the synthesis of 5-(4-fluorophenyl)-1-[2-((2R,4R)-4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-2-isopropyl-4-phenyl-1H-pyrrole-3-carboxylic acid phenylamide | PAH, PCCA, HPD | HMGCR 1030/4885SLCO1B1 4058/4885ABCB11 4824/4885 |
“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.