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 | 0.86 |
| ▸ | ABCB11 | O95342 | 3/20 | 1.00 |
| ▸ | SLCO1B1 | Q9Y6L6 | 3/20 | 1.00 |
| ▸ | ABCC3 | O15438 | 2/20 | 1.00 |
| ▸ | ABCC4 | O15439 | 2/20 | 1.00 |
| ▸ | SLCO1B3 | Q9NPD5 | 2/20 | 1.00 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.86 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.86 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.86 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.86 |
| ▸ | RHOC | P08134 | 1/20 | 0.86 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.86 |
| ▸ | THRB | P10828 | 1/20 | 0.86 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.86 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.86 |
| ▸ | PDE6D | O43924 | 3/20 | 0.74 |
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 | 1.00 | ABCB11 (1.00) | ABCB11SLCO1B1ABCC3ABCC4SLCO1B3 | |
| Atorvastatin SCHEMBL7703363 | 1.00 | ABCB11 (1.00) | ABCB11SLCO1B1ABCC3ABCC4SLCO1B3 | |
| Atorvastatin SCHEMBL3832 | 1.00 | ABCB11 (1.00) | ABCB11SLCO1B1ABCC3ABCC4SLCO1B3 | |
| Atorvastatin SCHEMBL6064039 | 1.00 | ABCB11 (1.00) | ABCB11SLCO1B1ABCC3ABCC4SLCO1B3 | |
| Atorvastatin SCHEMBL7102147 | 0.99 | ABCB11 (0.98) | ABCB11SLCO1B1ABCC3ABCC4SLCO1B3 | |
| Atorvastatin SCHEMBL5077129 | 0.99 | ABCB11 (0.98) | ABCB11SLCO1B1ABCC3ABCC4SLCO1B3 | |
| Atorvastatin SCHEMBL4668716 | 0.99 | ABCB11 (0.98) | ABCB11SLCO1B1ABCC3ABCC4SLCO1B3 | |
| Atorvastatin SCHEMBL153886 | 0.99 | ABCB11 (0.98) | ABCB11SLCO1B1ABCC3ABCC4SLCO1B3 | |
| Atorvastatin SCHEMBL1535888 | 0.99 | ABCB11 (0.98) | ABCB11SLCO1B1ABCC3ABCC4SLCO1B3 | |
| Atorvastatin SCHEMBL28456 | 0.99 | 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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1977738-A1 | Pharmaceutical compositions comprising atorvastatin manufactured without granulation | Warner-Lambert Company LLC (US) | 2008-10-08 | — | — | EP | disclosed |
| US-20050209306-A1 | Crystalline [R-(R*,R*)]-2-(4-fluorophenyI)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl- 4-[(phenylamino)carbonyl]-1H-pyrrole-heptanoic acid calcium salt (2:1) | IVAX PHARMACEUTICALS S.R.O. (CZ) | 2005-09-22 | — | — | US | disclosed |
| US-20050209306-A1 | Crystalline [R-(R*,R*)]-2-(4-fluorophenyI)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl- 4-[(phenylamino)carbonyl]-1H-pyrrole-heptanoic acid calcium salt (2:1) | IVAX PHARMACEUTICALS S.R.O. (CZ) | 2005-09-22 | — | — | US | disclosed |
| EP-1472220-A4 | CRYSTALLINE (R-(R*,R*))-2-(4-FLUOROPHENYL)-BETA,DELTA-DIHYDROXY-5-(1-METHYLETHYL)-3-PHENYL-4-((PHENYLAMINO)CARBONYL)-1H-PYRROLE-HEPTANOIC ACID CALCIUM SALT (2:1) | IVAX C R A S (CZ) | 2005-06-01 | — | — | EP | disclosed |
| EP-1472220-A4 | CRYSTALLINE (R-(R*,R*))-2-(4-FLUOROPHENYL)-BETA,DELTA-DIHYDROXY-5-(1-METHYLETHYL)-3-PHENYL-4-((PHENYLAMINO)CARBONYL)-1H-PYRROLE-HEPTANOIC ACID CALCIUM SALT (2:1) | IVAX C R A S (CZ) | 2005-06-01 | — | — | EP | disclosed |
| WO-2003050085-A8 | CRYSTALLINE [R-(R*,R*)]-2-(4-FLUOROPHENYL)-β,δ-DIHYDROXY-5-(1-METHYLETHYL)-3-PHENYL-4-[(PHENYLAMINO)CARBONYL]-1H-PYRROLE-HEPTANOIC ACID CALCIUM SALT (2:1) | IVAX CORP (US) | 2004-11-11 | — | — | WO | disclosed |
| EP-1472220-A1 | CRYSTALLINE (R-(R*,R*))-2-(4-FLUOROPHENYL)-BETA,DELTA-DIHYDROXY-5-(1-METHYLETHYL)-3-PHENYL-4-((PHENYLAMINO)CARBONYL)-1H-PYRROLE-HEPTANOIC ACID CALCIUM SALT (2:1) | Ivax C.R., a.s. (CZ) | 2004-11-03 | — | — | EP | disclosed |
| EP-1472220-A1 | CRYSTALLINE (R-(R*,R*))-2-(4-FLUOROPHENYL)-BETA,DELTA-DIHYDROXY-5-(1-METHYLETHYL)-3-PHENYL-4-((PHENYLAMINO)CARBONYL)-1H-PYRROLE-HEPTANOIC ACID CALCIUM SALT (2:1) | Ivax C.R., a.s. (CZ) | 2004-11-03 | — | — | EP | disclosed |
| WO-2003050085-A1 | CRYSTALLINE [R-(R*,R*)]-2-(4-FLUOROPHENYL)-β,δ-DIHYDROXY-5-(1-METHYLETHYL)-3-PHENYL-4-[(PHENYLAMINO)CARBONYL]-1H-PYRROLE-HEPTANOIC ACID CALCIUM SALT (2:1) | IVAX CORPORATION (US) | 2003-06-19 | — | — | WO | disclosed |
| WO-2003050085-A1 | CRYSTALLINE [R-(R*,R*)]-2-(4-FLUOROPHENYL)-β,δ-DIHYDROXY-5-(1-METHYLETHYL)-3-PHENYL-4-[(PHENYLAMINO)CARBONYL]-1H-PYRROLE-HEPTANOIC ACID CALCIUM SALT (2:1) | IVAX CORPORATION (US) | 2003-06-19 | — | — | WO | disclosed |
| EP-1291017-A2 | Use of statins to inhibit formation of osteoclasts | WARNER-LAMBERT COMPANY (US) | 2003-03-12 | — | — | EP | disclosed |
| EP-0915866-B1 | IMPROVED PROCESS FOR THE SYNTHESIS OF PROTECTED ESTERS OF (S)-3,4-DIHYDROXYBUTYRIC ACID | WARNER LAMBERT CO (US) | 2002-03-27 | — | — | EP | 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-20050209306-A1 | Crystalline [R-(R*,R*)]-2-(4-fluorophenyI)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl- 4-[(phenylamino)carbonyl]-1H-pyrrole-heptanoic acid calcium salt (2:1) | HMGCR, FFAR1, LDLR | HMGCR 1/4885ABCB11 1691/4885SLCO1B1 540/4885 |
“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.