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 SCHEMBL5451363 | 1.00 | HMGCR (0.98) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL1402150 | 1.00 | HMGCR (0.98) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL26978250 | 0.99 | HMGCR (0.97) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL19469652 | 0.99 | HMGCR (0.97) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL618614 | 0.99 | HMGCR (0.97) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL14968747 | 0.99 | HMGCR (0.97) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL34266 | 0.99 | HMGCR (0.97) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL3320396 | 0.99 | HMGCR (0.97) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL30940368 | 0.99 | HMGCR (0.97) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL6266705 | 0.99 | HMGCR (1.00) | 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 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1242373-B1 | A PROCESS FOR PRODUCING CRYSTALLINE ATORVASTATIN CALCIUM | PFIZER SCIENCE & TECH LTD (IE) | 2006-03-15 | — | — | EP | claimed |
| EP-1237865-B1 | A FACTORY SCALE PROCESS FOR PRODUCING CRYSTALLINE ATORVASTATIN TRIHYDRATE HEMI CALCIUM SALT | PFIZER SCIENCE & TECH LTD (IE) | 2005-11-16 | — | — | EP | claimed |
| EP-1584616-A1 | Industrial process for the production of crystalline atorvastatin trihydrate hemi calcium salt | Pfizer Science and Technology Ireland Limited (IE) | 2005-10-12 | — | — | EP | claimed |
| US-6730797-B2 | REACTING MIXTURE OF ATORVASTATIN LACTONE, METHANOL, AND METHYL TERT-BUTYL ETHER WITH SODIUM HYDROXIDE TO FORM THE RING-OPENED SODIUM SALT; VACUUM PAN DRYING; AGITATION AND CONTINUOUS ROTATION | PFIZER SCIENCE AND TECHNOLOGY IRELAND LIMITED (IE) | 2004-05-04 | — | — | US | claimed |
| US-20040024226-A1 | Process for producing crystalline atorvastatin calcium | PFIZER SCIENCE AND TECHNOLOGY IRELAND LIMITED (IR) | 2004-02-05 | — | — | US | claimed |
| US-6605728-B2 | Starting from atorvastatin lactone, where continuous agitation at a very low speed provides optimum drying conditions for avoiding clod formation and particle attrition | WARNER-LAMBERT COMPANY | 2003-08-12 | — | — | US | claimed |
| US-6600051-B2 | Uniform particle size; antilipemic agents, anticholesterol agents | WARNER-LAMBERT COMPANY | 2003-07-29 | — | — | US | claimed |
| US-20020161239-A1 | Process for producing crystalline atorvastatin calcium | O'CONNELL JOHN (IE) | 2002-10-31 | — | — | US | claimed |
| US-20020156294-A1 | Factory scale process for producing crystalline atorvastatin trihydrate hemi calcium salt | PFIZER SCIENCE AND TECHNOLOGY IRELAND LIMITED (IE) | 2002-10-24 | — | — | US | claimed |
| EP-1242373-A1 | A PROCESS FOR PRODUCING CRYSTALLINE ATORVASTATIN CALCIUM | Warner Lambert Research and Development Ireland Limited (IE) | 2002-09-25 | — | — | EP | claimed |
| EP-1237865-A1 | A FACTORY SCALE PROCESS FOR PRODUCING CRYSTALLINE ATORVASTATIN TRIHYDRATE HEMI CALCIUM SALT | Warner Lambert Research and Development Ireland Limited (IE) | 2002-09-11 | — | — | EP | claimed |
| WO-2001044181-A1 | A PROCESS FOR PRODUCING CRYSTALLINE ATORVASTATIN CALCIUM | WARNER LAMBERT RESEARCH AND DEVELOPMENT IRELAND LIMITED (IE) | 2001-06-21 | — | — | WO | claimed |
| WO-2001044180-A1 | A FACTORY SCALE PROCESS FOR PRODUCING CRYSTALLINE ATORVASTATIN TRIHYDRATE HEMI CALCIUM SALT | WARNER LAMBERT RESEARCH AND DEVELOPMENT IRELAND LIMITED (IE) | 2001-06-21 | — | — | 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-10252993-B2 | Crystalline form of atorvastatin hemi-calcium salt, hydrate thereof, and method of producing the same | KYONGBO PHARM (KR) | 2019-04-09 | — | — | US | disclosed |
| US-20180009747-A1 | NOVEL CRYSTALLINE FORM OF ATORVASTATIN HEMI-CALCIUM SALT, HYDRATE THEREOF, AND METHOD OF PRODUCING THE SAME | KYONGBO PHARM (KR) | 2018-01-11 | — | — | US | disclosed |
| WO-2001044181-A1 | A PROCESS FOR PRODUCING CRYSTALLINE ATORVASTATIN CALCIUM | WARNER LAMBERT RESEARCH AND DEVELOPMENT IRELAND LIMITED (IE) | 2001-06-21 | — | — | WO | disclosed |
| WO-2001044180-A1 | A FACTORY SCALE PROCESS FOR PRODUCING CRYSTALLINE ATORVASTATIN TRIHYDRATE HEMI CALCIUM SALT | WARNER LAMBERT RESEARCH AND DEVELOPMENT IRELAND LIMITED (IE) | 2001-06-21 | — | — | WO | disclosed |
| WO-2001044180-A1 | A FACTORY SCALE PROCESS FOR PRODUCING CRYSTALLINE ATORVASTATIN TRIHYDRATE HEMI CALCIUM SALT | WARNER LAMBERT RESEARCH AND DEVELOPMENT IRELAND LIMITED (IE) | 2001-06-21 | — | — | WO | disclosed |
| WO-2001044180-A1 | A FACTORY SCALE PROCESS FOR PRODUCING CRYSTALLINE ATORVASTATIN TRIHYDRATE HEMI CALCIUM SALT | WARNER LAMBERT RESEARCH AND DEVELOPMENT IRELAND LIMITED (IE) | 2001-06-21 | — | — | 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-20020156294-A1 | Factory scale process for producing crystalline atorvastatin trihydrate hemi calcium salt | CETP, HMGCR, SREBF1 | HMGCR 2/4885SLCO1B1 2057/4885ABCB11 1319/4885 |
| US-20020161239-A1 | Process for producing crystalline atorvastatin calcium | HMGCR, CA2, CHP1 | HMGCR 1/4885SLCO1B1 2719/4885ABCB11 3408/4885 |
| US-20180009747-A1 | NOVEL CRYSTALLINE FORM OF ATORVASTATIN HEMI-CALCIUM SALT, HYDRATE THEREOF, AND METHOD OF PRODUCING THE SAME | HMGCR, DHCR7, CACNA1S | HMGCR 1/4885SLCO1B1 167/4885ABCB11 601/4885 |
| US-10252993-B2 | Crystalline form of atorvastatin hemi-calcium salt, hydrate thereof, and method of producing the same | HMGCR, DHCR7, HCAR1 | HMGCR 1/4885SLCO1B1 151/4885ABCB11 509/4885 |
| US-20040024226-A1 | Process for producing crystalline atorvastatin calcium | HMGCR, CA2, CHP1 | HMGCR 1/4885SLCO1B1 2719/4885ABCB11 3408/4885 |
“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.