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 SCHEMBL1503605 | 1.00 | HMGCR (0.98) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL4201645 | 0.99 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| SCHEMBL21637576 | 0.99 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL537781 | 0.99 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL13900412 | 0.99 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL8257670 | 0.99 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL465015 | 0.99 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL6266705 | 0.99 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL3056792 | 0.99 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL3831 | 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 446 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 |
| CN-111481670-A | Application of statin compound in tumor inhibition | 北京大学第三医院（北京大学第三临床医学院） | 2020-08-04 | — | — | CN | claimed |
| CN-108785675-A | Statin compound improves the purposes of oncotherapy sensibility | 北京大学第三医院 | 2018-11-13 | — | — | CN | claimed |
| CN-105085362-B | The preparation method of high-purity crystallized type Atorvastatin calcium | 浙江海森药业有限公司 | 2018-01-05 | — | — | CN | claimed |
| CN-107019694-A | The purposes of statin compound repairing nerve damage | 北京大学第三医院 | 2017-08-08 | — | — | CN | claimed |
| US-20170190663-A1 | SALT FORMS OF [R-(R*,R*)]-2-(4-FLUOROPHENYL)-BETA,DELTA-DIHYDROXY-5-(1-METHYLETHYL)-3-PHENYL-4-[(PHENYLAMINO)CARBONYL]-1H-PYRROLE-1-HEPTANOIC ACID | UPJOHN US 1 LLC | 2017-07-06 | — | — | US | claimed |
| US-20160185720-A1 | Salt forms of [R-(R*,R*)]-2-(4-fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic acid | UPJOHN US 1 LLC | 2016-06-30 | — | — | US | claimed |
| CN-105085362-A | Preparing method for high-purity crystal type atorvastatin calcium | ZHEJIANG HAISEN PHARMACY CO LTD | 2015-11-25 | — | — | CN | claimed |
| CN-103288702-B | A kind of preparation method of atorvastatin amino acid salts | KECHOW PHARMA, INC. (CN) | 2015-09-16 | — | — | CN | claimed |
| US-20150251999-A1 | Salt forms of [R-(R*,R*)]-2-(4-fluorophenyl)-beta, delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic acid | VIATRIS SPECIALTY LLC. | 2015-09-10 | — | — | US | claimed |
| US-20050165242-A1 | Process for the preparation of amorphous atorvastatin calcium | APOTEX PHARMACHEM INC. | 2005-07-28 | — | — | US | claimed |
| EP-1480943-A2 | SYNTHESIS OF 3,5-DIHYDROXY-7-PYRROL-1-YL HEPTANOIC ACIDS | Teva Pharmaceutical Industries Limited (IL) | 2004-12-01 | — | — | EP | claimed |
| WO-2004089895-A1 | PROCESS FOR THE PREPARATION OF AMORPHOUS CALCIUM SALT OF ATORVASTATIN | LEK PHARMACEUTICALS D.D. (CH) | 2004-10-21 | — | — | WO | claimed |
| WO-2004050618-A2 | CRYSTALLINE FORM F OF ATORVASTATIN HEMI-CALCIUM SALT | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2004-06-17 | — | — | WO | claimed |
| US-20040106670-A1 | Crystalline form | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2004-06-03 | — | — | US | claimed |
| WO-2004046105-A2 | SYNTHESIS OF 3,5-DIHYDROXY-7-PYRROL-1-YL HEPTANOIC ACIDS | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2004-06-03 | — | — | WO | claimed |
| EP-1424324-A1 | Crystalline form F of Atorvastatin hemi-calcium salt | Teva Pharmaceutical Industries Limited (IL) | 2004-06-02 | — | — | EP | claimed |
| CN-1423634-A | Polymorphic form of atorvastain calcium | TEVA PHARMA (IL) | 2003-06-11 | — | — | CN | claimed |
| WO-2002083638-A1 | PROCESS FOR THE PRODUCTION OF ATORVASTATIN CALCIUM IN AMORPHOUS FORM | CADILA HEALTHCARE LIMITED (IN) | 2002-10-24 | — | — | WO | claimed |
| WO-2002083637-A1 | PROCESS FOR THE PRODUCTION OF AMORPHOUS ATORVASTATIN CALCIUM | CADILA HEALTHCARE LIMITED (IN) | 2002-10-24 | — | — | WO | claimed |
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-20170190663-A1 | SALT FORMS OF [R-(R*,R*)]-2-(4-FLUOROPHENYL)-BETA,DELTA-DIHYDROXY-5-(1-METHYLETHYL)-3-PHENYL-4-[(PHENYLAMINO)CARBONYL]-1H-PYRROLE-1-HEPTANOIC ACID | HMGCR, BPHL, GRHPR | HMGCR 1/4885SLCO1B1 1785/4885ABCB11 1429/4885 |
| US-20160185720-A1 | Salt forms of [R-(R*,R*)]-2-(4-fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic acid | HMGCR, BPHL, GRHPR | HMGCR 1/4885SLCO1B1 1785/4885ABCB11 1429/4885 |
| US-20040106670-A1 | Crystalline form | HMGCR, CYP4F3, CYP4F2 | HMGCR 1/4885SLCO1B1 43/4885ABCB11 1214/4885 |
| US-20050165242-A1 | Process for the preparation of amorphous atorvastatin calcium | HMGCR, LIPA, PCSK9 | HMGCR 1/4885SLCO1B1 762/4885ABCB11 843/4885 |
| US-20150251999-A1 | Salt forms of [R-(R*,R*)]-2-(4-fluorophenyl)-beta, delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic acid | HMGCR, BPHL, GRHPR | HMGCR 1/4885SLCO1B1 1785/4885ABCB11 1429/4885 |
“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.