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 SCHEMBL4201645 | 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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112641773-A | Composition containing heterocyclic compound and use thereof | 黄泳华 | 2021-04-13 | — | — | CN | claimed |
| CN-111184717-A | Composition containing mixture of pyrrolyl dihydroxy heptanoic acid derivatives and use thereof | 黄泳华 | 2020-05-22 | — | — | CN | claimed |
| CN-111110854-A | Composition comprising a histamine release-promoting substance and an inhibitory compound | 黄泳华 | 2020-05-08 | — | — | CN | claimed |
| CN-111068064-A | Composition comprising fatty acid or derivative thereof and dihydroxyheptanoic acid derivative | 黄泳华 | 2020-04-28 | — | — | CN | claimed |
| CN-118340771-A | Application of Atorvastatin in preparation of medicines for treating breast cancer diseases | 澳门理工大学 | 2024-07-16 | — | — | CN | disclosed |
| WO-2023202582-A1 | GPCR REGULATOR AND USE THEREOF | 北京昌平实验室 | 2023-10-26 | — | — | WO | disclosed |
| WO-2023202583-A1 | FXR REGULATOR AND USE THEREOF | 北京大学 | 2023-10-26 | — | — | WO | disclosed |
| WO-2023202578-A1 | GPCR REGULATOR AND USE THEREOF | 北京昌平实验室 | 2023-10-26 | — | — | WO | disclosed |
| CN-116887843-A | Compositions and methods for reducing oxalate levels in patients undergoing maintenance dialysis | 柏林夏瑞蒂医科大学 | 2023-10-13 | — | — | CN | disclosed |
| CN-116712552-A | Methods and compositions for treating herpes virus-induced conditions | 波士顿大学托管委员会 | 2023-09-08 | — | — | CN | disclosed |
| CN-109310884-B | Method for treating or preventing liver diseases | CSL有限公司 | 2022-10-28 | — | — | CN | disclosed |
| WO-2022083731-A1 | FUSED RING-CONTAINING COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME | 健艾仕生物医药有限公司 | 2022-04-28 | — | — | WO | disclosed |
| CN-112641773-A | Composition containing heterocyclic compound and use thereof | 黄泳华 | 2021-04-13 | — | — | CN | disclosed |
| CN-111184717-A | Composition containing mixture of pyrrolyl dihydroxy heptanoic acid derivatives and use thereof | 黄泳华 | 2020-05-22 | — | — | CN | disclosed |
| CN-111110854-A | Composition comprising a histamine release-promoting substance and an inhibitory compound | 黄泳华 | 2020-05-08 | — | — | CN | disclosed |
| WO-2016122325-A1 | METHODS FOR PROVIDING INTERMEDIATES IN THE SYNTHESIS OF ATORVASTATIN. | RIJKSUNIVERSITEIT GRONINGEN (NL) | 2016-08-04 | — | — | WO | disclosed |
| WO-2016122325-A1 | METHODS FOR PROVIDING INTERMEDIATES IN THE SYNTHESIS OF ATORVASTATIN. | RIJKSUNIVERSITEIT GRONINGEN (NL) | 2016-08-04 | — | — | WO | disclosed |
| US-20160175310-A1 | BOOSTING THE EFFECT OF METHOTREXATE THROUGH THE COMBINED USE WITH LIPOPHILIC STATINS | DALANA3, S.L. (ES) | 2016-06-23 | — | — | US | disclosed |
| US-20160175310-A1 | BOOSTING THE EFFECT OF METHOTREXATE THROUGH THE COMBINED USE WITH LIPOPHILIC STATINS | DALANA3, S.L. (ES) | 2016-06-23 | — | — | US | disclosed |
| US-RE40667-E1 | [R-(R*R*)]-2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic acid, its lactone form and salts thereof | WARNER-LAMBERT COMPANY LLC (US) | 2009-03-17 | — | — | 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 (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-20160175310-A1 | BOOSTING THE EFFECT OF METHOTREXATE THROUGH THE COMBINED USE WITH LIPOPHILIC STATINS | DHFR, TPMT, HMGCR | HMGCR 3/4885SLCO1B1 589/4885ABCB11 1532/4885 |
“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.