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 | 4/20 | 0.91 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.95 |
| ▸ | SLCO1B1 | Q9Y6L6 | 3/20 | 0.95 |
| ▸ | ABCC3 | O15438 | 2/20 | 0.95 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.95 |
| ▸ | SLCO1B3 | Q9NPD5 | 2/20 | 0.95 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.91 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.91 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.91 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.91 |
| ▸ | RHOC | P08134 | 1/20 | 0.91 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.91 |
| ▸ | THRB | P10828 | 1/20 | 0.91 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.91 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.91 |
| ▸ | PDE6D | O43924 | 3/20 | 0.71 |
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 SCHEMBL1560714 | 1.00 | ABCB11 (0.95) | ABCB11SLCO1B1ABCC3ABCC4SLCO1B3 | |
| Atorvastatin SCHEMBL3832 | 0.98 | ABCB11 (1.00) | ABCB11SLCO1B1ABCC3ABCC4SLCO1B3 | |
| Atorvastatin SCHEMBL7703363 | 0.98 | ABCB11 (1.00) | ABCB11SLCO1B1ABCC3ABCC4SLCO1B3 | |
| Atorvastatin SCHEMBL7037659 | 0.98 | ABCB11 (1.00) | ABCB11SLCO1B1ABCC3ABCC4SLCO1B3 | |
| Atorvastatin SCHEMBL5072672 | 0.98 | ABCB11 (1.00) | ABCB11SLCO1B1ABCC3ABCC4SLCO1B3 | |
| Atorvastatin SCHEMBL6064039 | 0.98 | ABCB11 (1.00) | ABCB11SLCO1B1ABCC3ABCC4SLCO1B3 | |
| Atorvastatin SCHEMBL137842 | 0.97 | ABCB11 (0.98) | ABCB11SLCO1B1ABCC3ABCC4SLCO1B3 | |
| Atorvastatin SCHEMBL5077060 | 0.97 | ABCB11 (0.98) | ABCB11SLCO1B1ABCC3ABCC4SLCO1B3 | |
| Atorvastatin SCHEMBL663081 | 0.97 | ABCB11 (0.98) | ABCB11SLCO1B1ABCC3ABCC4SLCO1B3 | |
| Atorvastatin SCHEMBL3930194 | 0.97 | 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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20190204229-A1 | Low Energy Laser Spectroscopy LELS | HUDSON GUSTAV (US) | 2019-07-04 | — | — | US | disclosed |
| US-10324037-B2 | Low energy laser spectroscopy LELS | HUDSON GUSTAV (US) | 2019-06-18 | — | — | US | disclosed |
| US-20170216214-A1 | FORMULATIONS | HOFFMANN-LA ROCHE INC. (US) | 2017-08-03 | — | — | US | disclosed |
| US-20160290922-A1 | Low Energy Laser Spectroscopy | HUDSON GUSTAV (US) | 2016-10-06 | — | — | US | disclosed |
| US-20160161411-A1 | Low Energy Laser Spectroscopy LELS | HUDSON GUSTAV (US) | 2016-06-09 | — | — | US | disclosed |
| US-9085508-B2 | Nitric oxide releasing amino acid ester compound, composition and method of use | ORAL DELIVERY TECHNOLOGY LTD. (US) | 2015-07-21 | — | — | US | disclosed |
| EP-2342175-B1 | NITRIC OXIDE RELEASING AMINO ACID ESTER COMPOUND, COMPOSITION AND METHOD OF USE | NITROGENIX INC (VG) | 2015-05-27 | — | — | EP | disclosed |
| US-20150072003-A1 | FORMULATIONS | HOFFMANN-LA ROCHE INC. (US) | 2015-03-12 | — | — | US | disclosed |
| EP-2844245-A1 | NEW FORMULATION | F. Hoffmann-La Roche AG (CH) | 2015-03-11 | — | — | EP | disclosed |
| CN-104244946-A | New formulation | HOFFMANN LA ROCHE | 2014-12-24 | — | — | CN | disclosed |
| EP-1601668-A1 | SUBSTITUTED AZETIDINONE COMPOUNDS, FORMULATIONS AND USES THEREOF FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA | SCHERING CORPORATION (US) | 2005-12-07 | — | — | EP | disclosed |
| US-20050234245-A1 | Estrogen receptor modulators | MERCK SHARP & DOHME CORP. | 2005-10-20 | — | — | US | disclosed |
| US-20040259179-A1 | Sterol markers as diagnostic tools in the prevention of atherosclerotic diseases and as tools to aid in the selection of agents to be used for the prevention and treatment of atherosclerotic disease | ASSMANN GERD (DE) | 2004-12-23 | — | — | US | disclosed |
| US-20040198700-A1 | Administering to a patient an azetidinone compound containing at least 3 phenyl rings fo rprevention of a vascular condition, diabetes, obesity, stroke, lowering a concentration of a sterol or stanol in plasma of a mammal, preventing demyelination or treating Alzheimer's disease | SCHERING CORPORATION | 2004-10-07 | — | — | US | disclosed |
| WO-2004081002-A1 | SUBSTITUTED AZETIDINONE COMPOUNDS, FORMULATIONS AND USES THEREOF FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA | SCHERING CORPORATION (US) | 2004-09-23 | — | — | WO | disclosed |
| WO-2004081003-A1 | SUBSTITUTED AZETIDINONE COMPOUNDS, FORMULATIONS AND USES THEREOF FOR THE TREATMENT OF HYPERCHOLETEROLEMIA | SCHERING CORPORATION (US) | 2004-09-23 | — | — | WO | disclosed |
| WO-2004081004-A1 | SUBSTITUTED AZETIDINONE COMPOUNDS, FORMULATIONS AND USES THEREOF FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA | SCHERING CORPORATION (US) | 2004-09-23 | — | — | WO | disclosed |
| US-20040180861-A1 | Substituted azetidinone compounds, processes for preparing the same, formulations and uses thereof | SCHERING CORPORATION | 2004-09-16 | — | — | US | disclosed |
| US-20040180860-A1 | Substituted azetidinone compounds, processes for preparing the same, formulations and uses thereof | SCHERING CORPORATION | 2004-09-16 | — | — | US | disclosed |
| US-6329376-B1 | Inhibitors of prenyl-protein transferase | MERCK & CO., INC. | 2001-12-11 | — | — | 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 (7 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-20050234245-A1 | Estrogen receptor modulators | ESRRB, ESR2, GPER1 | HMGCR 414/4885ABCB11 2809/4885SLCO1B1 3949/4885 |
| US-20040198700-A1 | Administering to a patient an azetidinone compound containing at least 3 phenyl rings fo rprevention of a vascular condition, diabetes, obesity, stroke, lowering a concentration of a sterol or stanol in plasma of a mammal, preventing demyelination or treating Alzheimer's disease | APOB, CYP46A1, NR1H3 | HMGCR 14/4885ABCB11 501/4885SLCO1B1 859/4885 |
| US-20040180860-A1 | Substituted azetidinone compounds, processes for preparing the same, formulations and uses thereof | APOB, NPC1L1, CYP46A1 | HMGCR 29/4885ABCB11 602/4885SLCO1B1 3052/4885 |
| US-20170216214-A1 | FORMULATIONS | MATR3, COL2A1, MMP7 | HMGCR 76/4885ABCB11 100/4885SLCO1B1 467/4885 |
| US-20040180861-A1 | Substituted azetidinone compounds, processes for preparing the same, formulations and uses thereof | APOB, NPC1L1, CYP46A1 | HMGCR 29/4885ABCB11 602/4885SLCO1B1 3052/4885 |
| US-20040259179-A1 | Sterol markers as diagnostic tools in the prevention of atherosclerotic diseases and as tools to aid in the selection of agents to be used for the prevention and treatment of atherosclerotic disease | SREBF1, APOB, SREBF2 | HMGCR 5/4885ABCB11 1750/4885SLCO1B1 883/4885 |
| US-20150072003-A1 | FORMULATIONS | MATR3, COL2A1, MMP7 | HMGCR 76/4885ABCB11 100/4885SLCO1B1 467/4885 |
“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.