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 | 0.84 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.98 |
| ▸ | SLCO1B1 | Q9Y6L6 | 3/20 | 0.98 |
| ▸ | ABCC3 | O15438 | 2/20 | 0.98 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.98 |
| ▸ | SLCO1B3 | Q9NPD5 | 2/20 | 0.98 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.84 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.84 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.84 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.84 |
| ▸ | RHOC | P08134 | 1/20 | 0.84 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.84 |
| ▸ | THRB | P10828 | 1/20 | 0.84 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.84 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.84 |
| ▸ | PDE6D | O43924 | 3/20 | 0.73 |
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 | 0.99 | ABCB11 (1.00) | ABCB11SLCO1B1ABCC3ABCC4SLCO1B3 | |
| Atorvastatin SCHEMBL5072672 | 0.99 | ABCB11 (1.00) | ABCB11SLCO1B1ABCC3ABCC4SLCO1B3 | |
| Atorvastatin SCHEMBL7703363 | 0.99 | ABCB11 (1.00) | ABCB11SLCO1B1ABCC3ABCC4SLCO1B3 | |
| Atorvastatin SCHEMBL3832 | 0.99 | ABCB11 (1.00) | ABCB11SLCO1B1ABCC3ABCC4SLCO1B3 | |
| Atorvastatin SCHEMBL6064039 | 0.99 | ABCB11 (1.00) | ABCB11SLCO1B1ABCC3ABCC4SLCO1B3 | |
| Atorvastatin SCHEMBL137842 | 0.98 | ABCB11 (0.98) | ABCB11SLCO1B1ABCC3ABCC4SLCO1B3 | |
| Atorvastatin SCHEMBL5077060 | 0.98 | ABCB11 (0.98) | ABCB11SLCO1B1ABCC3ABCC4SLCO1B3 | |
| Atorvastatin SCHEMBL1031326 | 0.98 | ABCB11 (0.98) | ABCB11SLCO1B1ABCC3ABCC4SLCO1B3 | |
| Atorvastatin SCHEMBL3930194 | 0.98 | ABCB11 (0.98) | ABCB11SLCO1B1ABCC3ABCC4SLCO1B3 | |
| Atorvastatin SCHEMBL149165 | 0.98 | 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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113321607-A | Purification method of atorvastatin calcium intermediate | 北京福元医药股份有限公司沧州分公司 | 2021-08-31 | — | — | CN | claimed |
| US-20120046335-A1 | SOLID STATES OF ATORVASTATIN POTASSIUM | TEVA PHARMACEUTICAL INDUSTRIES LTD. | 2012-02-23 | — | — | US | claimed |
| US-8071638-B2 | Solid states of atorvastatin potassium | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2011-12-06 | — | — | US | claimed |
| EP-1879862-B1 | MAGNESIUM SALTS OF HMG-COA REDUCTASE INHIBITORS | RANBAXY LAB LTD (IN) | 2011-01-19 | — | — | EP | claimed |
| US-20100222405-A1 | MAGNESIUM SALTS OF HMG-COA REDUCTASE INHIBITORS | RANBAXY LABORATORIES LIMITED (IN) | 2010-09-02 | — | — | US | claimed |
| US-20100219063-A1 | OXIDATIVE DEGENERATION PRODUCTS OF ATORVASTATIN CALCIUM | LEK PHARMACEUTICALS D.D. (SI) | 2010-09-02 | — | — | US | claimed |
| US-20100041731-A1 | SOLID STATES OF ATORVASTATIN POTASSIUM | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2010-02-18 | — | — | US | claimed |
| WO-2010019435-A2 | SOLID STATES OF ATORVASTATIN POTASSIUM | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2010-02-18 | — | — | WO | claimed |
| EP-1879862-A2 | MAGNESIUM SALTS OF HMG-COA REDUCTASE INHIBITORS | Ranbaxy Laboratories Limited (IN) | 2008-01-23 | — | — | EP | claimed |
| US-20070208071-A1 | Oxidative Degradation Products of Atorvastatin Calcium | LEK PHARMACEUTICALS D.D. (SI) | 2007-09-06 | — | — | US | claimed |
| WO-2006117761-A2 | MAGNESIUM SALTS OF HMG-COA REDUCTASE INHIBITORS | RANBAXY LABORATORIES LIMITED (IN) | 2006-11-09 | — | — | WO | claimed |
| CN-113321607-A | Purification method of atorvastatin calcium intermediate | 北京福元医药股份有限公司沧州分公司 | 2021-08-31 | — | — | CN | disclosed |
| US-20140142127-A1 | Stable Compositions of HMG-COA Reductase Inhibitors and Omega-3 Oils | ALMBURG, LLC (US) | 2014-05-22 | — | — | US | disclosed |
| US-20120046335-A1 | SOLID STATES OF ATORVASTATIN POTASSIUM | TEVA PHARMACEUTICAL INDUSTRIES LTD. | 2012-02-23 | — | — | US | disclosed |
| US-20120046335-A1 | SOLID STATES OF ATORVASTATIN POTASSIUM | TEVA PHARMACEUTICAL INDUSTRIES LTD. | 2012-02-23 | — | — | US | disclosed |
| US-20100041731-A1 | SOLID STATES OF ATORVASTATIN POTASSIUM | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2010-02-18 | — | — | US | disclosed |
| WO-2009054682-A2 | PRODRUG OF ATROVASTATIN BY CHOLESTEROL'S SYNTHESIS INHIBITORS | ASTECH CO., LTD. (KR) | 2009-04-30 | — | — | WO | disclosed |
| EP-2049479-A2 | POLYMORPHS OF ATORVASTATIN SODIUM AND MAGNESIUM SALTS | KRKA, tovarna zdravil, d.d., Novo mesto (SI) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008069546-A1 | ORAL ADMINISTRATIVE PREPARATION FOR TREATING CARDIOVASCULAR SYSTEM DISEASE | BORYUNG PHARMACEUTICAL CO., LTD (KR) | 2008-06-12 | — | — | WO | disclosed |
| WO-2007118873-A2 | POLYMORPHS OF ATORVASTATIN SODIUM AND MAGNESIUM SALTS | KRKA, TOVARNA ZDRAVIL, D.D., NOVO MESTO (SI) | 2007-10-25 | — | — | 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 (5 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-20100041731-A1 | SOLID STATES OF ATORVASTATIN POTASSIUM | HMGCR, PCSK9, APOB | HMGCR 1/4885ABCB11 279/4885SLCO1B1 265/4885 |
| US-20100219063-A1 | OXIDATIVE DEGENERATION PRODUCTS OF ATORVASTATIN CALCIUM | HMGCR, TXNRD2, ORAI1 | HMGCR 1/4885ABCB11 2874/4885SLCO1B1 723/4885 |
| US-20100222405-A1 | MAGNESIUM SALTS OF HMG-COA REDUCTASE INHIBITORS | HMGCR, CYP11A1, DHCR7 | HMGCR 1/4885ABCB11 146/4885SLCO1B1 558/4885 |
| US-20070208071-A1 | Oxidative Degradation Products of Atorvastatin Calcium | HMGCR, ORAI1, CYP11A1 | HMGCR 1/4885ABCB11 958/4885SLCO1B1 478/4885 |
| US-20120046335-A1 | SOLID STATES OF ATORVASTATIN POTASSIUM | HMGCR, PCSK9, APOB | HMGCR 1/4885ABCB11 279/4885SLCO1B1 265/4885 |
“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.