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 | 1.00 |
| ▸ | SLCO1B1 | Q9Y6L6 | 4/20 | 1.00 |
| ▸ | ABCB11 | O95342 | 3/20 | 1.00 |
| ▸ | HDAC1 | Q13547 | 2/20 | 1.00 |
| ▸ | HDAC2 | Q92769 | 2/20 | 1.00 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 1.00 |
| ▸ | NR1I2 | O75469 | 1/20 | 1.00 |
| ▸ | RHOC | P08134 | 1/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 1/20 | 1.00 |
| ▸ | THRB | P10828 | 1/20 | 1.00 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 1.00 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 1.00 |
| ▸ | ABCC3 | O15438 | 2/20 | 0.87 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.87 |
| ▸ | SLCO1B3 | Q9NPD5 | 2/20 | 0.87 |
| ▸ | PDE6D | O43924 | 3/20 | 0.77 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.58 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL21637576 | 1.00 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL3056792 | 1.00 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL537781 | 1.00 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL13900412 | 1.00 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL465015 | 1.00 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL8257670 | 1.00 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL3831 | 1.00 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL6266705 | 1.00 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL3930191 | 0.99 | HMGCR (0.98) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL7037657 | 0.99 | HMGCR (0.98) | 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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090215855-A1 | New Crystalline Atorvastatin Hemicalcium Salt Polymorph Form | EGIS GYOGYSZERGYAR NYRT. (HU) | 2009-08-27 | — | — | US | claimed |
| US-7399773-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 and phenylamide | WARNER-LAMBERT COMPANY (US) | 2008-07-15 | — | — | US | disclosed |
| US-7399773-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 and phenylamide | WARNER-LAMBERT COMPANY (US) | 2008-07-15 | — | — | US | disclosed |
| US-7399773-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 and phenylamide | WARNER-LAMBERT COMPANY (US) | 2008-07-15 | — | — | US | disclosed |
| US-7371855-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) | 2008-05-13 | — | — | US | disclosed |
| US-7371855-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) | 2008-05-13 | — | — | US | disclosed |
| US-7371855-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) | 2008-05-13 | — | — | US | 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-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-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 |
| EP-1724256-A2 | Novel process for the synthesis of 5-(4-fluorphenyl)-1-2(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 LLC (US) | 2006-11-22 | — | — | EP | disclosed |
| US-20050239869-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-1eta-pyrrole-3-carboxylic acid phenylamide | BUTLER DONALD E | 2005-10-27 | — | — | US | disclosed |
| US-6933393-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 LLC (US) | 2005-08-23 | — | — | US | disclosed |
| EP-1353917-A2 | 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 | WARNER-LAMBERT COMPANY (US) | 2003-10-22 | — | — | EP | disclosed |
| US-20030195353-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 EUGENE (US) | 2003-10-16 | — | — | US | disclosed |
| US-6545153-B1 | Anticholesterol agents; antilipemic agents | WARNER-LAMBERT COMPANY | 2003-04-08 | — | — | US | disclosed |
| US-6476235-B2 | CHEMICAL INTERMEDIATE; ANTICHOLESTEROL AGENTS, ANTILIPEMIC AGENTS | WARNER-LAMBERT COMPANY | 2002-11-05 | — | — | US | disclosed |
| US-20020133026-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 EUGENE (US) | 2002-09-19 | — | — | US | disclosed |
| WO-2002055519-A2 | 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 | WARNER LAMBERT CO (US) | 2002-07-18 | — | — | WO | disclosed |
| US-20010006697-A1 | Composition and method for producing low cholesterol eggs | PURDUE RESEARCH FOUNDATION | 2001-07-05 | — | — | 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 (4 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-20050239869-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-1eta-pyrrole-3-carboxylic acid phenylamide | PAH, PCCA, HPD | HMGCR 1134/4885SLCO1B1 3816/4885ABCB11 4766/4885 |
| US-20090215855-A1 | New Crystalline Atorvastatin Hemicalcium Salt Polymorph Form | HMGCR, HCAR1, FABP5 | HMGCR 1/4885SLCO1B1 394/4885ABCB11 398/4885 |
| US-20030195353-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 | PCCA, PAH, HPD | HMGCR 837/4885SLCO1B1 3776/4885ABCB11 4792/4885 |
| US-20020133026-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 | PCCA, PAH, HPD | HMGCR 995/4885SLCO1B1 3793/4885ABCB11 4789/4885 |
“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.