Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Simvastatin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR known ✓ | P04035 | 6/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 5/20 | 1.00 |
| ▸ | TSHR | P16473 | 4/20 | 1.00 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 1.00 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 1.00 |
| ▸ | ABCB11 | O95342 | 3/20 | 1.00 |
| ▸ | PGR | P06401 | 3/20 | 1.00 |
| ▸ | ABCB1 | P08183 | 3/20 | 1.00 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 1.00 |
| ▸ | ADRB3 | P13945 | 3/20 | 1.00 |
| ▸ | TBXA2R | P21731 | 3/20 | 1.00 |
| ▸ | SLC6A2 | P23975 | 3/20 | 1.00 |
| ▸ | AGTR1 | P30556 | 3/20 | 1.00 |
| ▸ | PTGS2 | P35354 | 3/20 | 1.00 |
| ▸ | HTR2B | P41595 | 3/20 | 1.00 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 1.00 |
| ▸ | SLCO1B1 | Q9Y6L6 | 3/20 | 1.00 |
| ▸ | MAPT | P10636 | 3/20 | 1.00 |
| ▸ | ALOX15 | P16050 | 3/20 | 1.00 |
| ▸ | USP2 | O75604 | 2/20 | 1.00 |
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 | |
|---|---|---|---|---|
| Simvastatin SCHEMBL7361654 | 1.00 | HMGCR (1.00) | HMGCRCYP3A4TSHRKDM4ESMN1; SMN2 | |
| Simvastatin SCHEMBL12573746 | 1.00 | HMGCR (1.00) | HMGCRCYP3A4TSHRKDM4ESMN1; SMN2 | |
| Simvastatin SCHEMBL13934499 | 1.00 | HMGCR (1.00) | HMGCRCYP3A4TSHRKDM4ESMN1; SMN2 | |
| Simvastatin SCHEMBL24048980 | 1.00 | HMGCR (1.00) | HMGCRCYP3A4TSHRKDM4ESMN1; SMN2 | |
| Simvastatin SCHEMBL5506127 | 1.00 | HMGCR (1.00) | HMGCRCYP3A4TSHRKDM4ESMN1; SMN2 | |
| Simvastatin SCHEMBL23423222 | 1.00 | HMGCR (1.00) | HMGCRCYP3A4TSHRKDM4ESMN1; SMN2 | |
| Simvastatin SCHEMBL14601463 | 1.00 | HMGCR (1.00) | HMGCRCYP3A4TSHRKDM4ESMN1; SMN2 | |
| Simvastatin SCHEMBL4455910 | 1.00 | HMGCR (1.00) | HMGCRCYP3A4TSHRKDM4ESMN1; SMN2 | |
| Simvastatin SCHEMBL21340589 | 1.00 | HMGCR (1.00) | HMGCRCYP3A4TSHRKDM4ESMN1; SMN2 | |
| Simvastatin SCHEMBL14117394 | 1.00 | HMGCR (1.00) | HMGCRCYP3A4TSHRKDM4ESMN1; SMN2 |
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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1988005296-A2 | LPID REGULATING COMPOSITIONS | WARNER-LAMBERT COMPANY (US) | 1988-07-28 | — | — | WO | claimed |
| EP-3255031-B1 | COMPOUND, AND SEPARATION METHOD, SYNTHESIS METHOD AND USE THEREOF | BEIJING PEKING UNIV WBL BIOTECH CO LTD (CN) | 2021-09-29 | — | — | EP | disclosed |
| US-20180022688-A1 | COMPOUND, AND SEPARATION METHOD, SYNTHESIS METHOD AND USE THEREOF | BEIJING PEKING UNIVERSITY WBL BIOTECH CO., LTD. (CN) | 2018-01-25 | — | — | US | disclosed |
| US-20180022688-A1 | COMPOUND, AND SEPARATION METHOD, SYNTHESIS METHOD AND USE THEREOF | BEIJING PEKING UNIVERSITY WBL BIOTECH CO., LTD. (CN) | 2018-01-25 | — | — | US | disclosed |
| US-9585964-B2 | Liver targeted conjugates | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2017-03-07 | — | — | US | disclosed |
| US-9585964-B2 | Liver targeted conjugates | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2017-03-07 | — | — | US | disclosed |
| US-20160058751-A1 | COMPOSITION AND METHOD FOR TREATING CANCER | CELLWORKS GROUP, INC. (US) | 2016-03-03 | — | — | US | disclosed |
| US-8779167-B2 | Method for preparing a statin compound by lactonization | PEKING UNIVERSITY FOUNDER GROUP CO., LTD. (CN) | 2014-07-15 | — | — | US | disclosed |
| US-8779167-B2 | Method for preparing a statin compound by lactonization | PEKING UNIVERSITY FOUNDER GROUP CO., LTD. (CN) | 2014-07-15 | — | — | US | disclosed |
| US-20140140931-A1 | ANTIOXIDANT, NEUROPROTECTIVE AND ANTINEOPLASTIC NANOPARTICLES COMPRISING A THERAPEUTIC AGENT ON AN AMPHIPHILIC SPACER OR AN AMPHIPHILIC POLYMER | CEDARS-SINAI MEDICAL CENTER (US) | 2014-05-22 | — | — | US | disclosed |
| US-7208486-B2 | Substituted azetidinone compounds, processes for preparing the same, formulations and uses thereof | SCHERING CORPORATION (US) | 2007-04-24 | — | — | US | disclosed |
| US-7208486-B2 | Substituted azetidinone compounds, processes for preparing the same, formulations and uses thereof | SCHERING CORPORATION (US) | 2007-04-24 | — | — | US | disclosed |
| WO-2007005941-A2 | LIVER TARGETED CONJUGATES | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2007-01-11 | — | — | WO | disclosed |
| EP-1303268-A4 | HIGHLY PURIFIED SIMVASTATIN COMPOSITIONS | PLUS CHEMICALS BV (NL) | 2006-08-09 | — | — | EP | disclosed |
| US-20050197501-A1 | Processes for preparing calcium salt forms of statins | TEVA PHARMACEUTICAL INDUSTRIES LTD. | 2005-09-08 | — | — | US | disclosed |
| US-6777552-B2 | FROM AN ESTER DERIVATIVE OR PROTECTED ESTER DERIVATIVE OF THE STATIN BY USING CALCIUM HYDROXIDE | TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) | 2004-08-17 | — | — | US | disclosed |
| US-20030114685-A1 | Processes for preparing calcium salt forms of statins | TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) | 2003-06-19 | — | — | US | disclosed |
| EP-1303268-A1 | HIGHLY PURIFIED SIMVASTATIN COMPOSITIONS | Plus Chemicals B.V. (NL) | 2003-04-23 | — | — | EP | disclosed |
| US-20020115712-A1 | Highly purified simvastatin compositions | JOMED INC. | 2002-08-22 | — | — | US | disclosed |
| WO-2002009697-A1 | HIGHLY PURIFIED SIMVASTATIN COMPOSITIONS | PLUS CHEMICALS, B.V (NL) | 2002-02-07 | — | — | WO | 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 (6 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-20050197501-A1 | Processes for preparing calcium salt forms of statins | HMGCR, PCSK9, LIPA | HMGCR 1/4885CYP3A4 124/4885TSHR 4398/4885 |
| US-20020115712-A1 | Highly purified simvastatin compositions | HMGCR, HDLBP, CETP | HMGCR 1/4885CYP3A4 44/4885TSHR 4631/4885 |
| US-20160058751-A1 | COMPOSITION AND METHOD FOR TREATING CANCER | KRAS, NRAS, TP53 | HMGCR 1190/4885CYP3A4 3952/4885TSHR 4448/4885 |
| US-20180022688-A1 | COMPOUND, AND SEPARATION METHOD, SYNTHESIS METHOD AND USE THEREOF | HMGCR, COASY, DHCR7 | HMGCR 1/4885CYP3A4 110/4885TSHR 4384/4885 |
| US-20140140931-A1 | ANTIOXIDANT, NEUROPROTECTIVE AND ANTINEOPLASTIC NANOPARTICLES COMPRISING A THERAPEUTIC AGENT ON AN AMPHIPHILIC SPACER OR AN AMPHIPHILIC POLYMER | NLN, CASP12, GPX4 | HMGCR 8/4885CYP3A4 2369/4885TSHR 4712/4885 |
| US-20030114685-A1 | Processes for preparing calcium salt forms of statins | HMGCR, PCSK9, LIPA | HMGCR 1/4885CYP3A4 124/4885TSHR 4398/4885 |
“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.