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 SCHEMBL5991506 | 1.00 | HMGCR (1.00) | HMGCRCYP3A4TSHRKDM4ESMN1; SMN2 | |
| Simvastatin SCHEMBL13742895 | 1.00 | HMGCR (1.00) | HMGCRCYP3A4TSHRKDM4ESMN1; SMN2 | |
| Simvastatin SCHEMBL13568523 | 1.00 | HMGCR (1.00) | HMGCRCYP3A4TSHRKDM4ESMN1; SMN2 | |
| Simvastatin SCHEMBL24048980 | 1.00 | HMGCR (1.00) | HMGCRCYP3A4TSHRKDM4ESMN1; SMN2 | |
| Simvastatin SCHEMBL8259870 | 1.00 | HMGCR (1.00) | HMGCRCYP3A4TSHRKDM4ESMN1; SMN2 | |
| Simvastatin SCHEMBL23423222 | 1.00 | HMGCR (1.00) | HMGCRCYP3A4TSHRKDM4ESMN1; SMN2 | |
| Simvastatin SCHEMBL12567267 | 1.00 | HMGCR (1.00) | HMGCRCYP3A4TSHRKDM4ESMN1; SMN2 | |
| Simvastatin SCHEMBL5314441 | 1.00 | HMGCR (1.00) | HMGCRCYP3A4TSHRKDM4ESMN1; SMN2 | |
| Simvastatin SCHEMBL21340589 | 1.00 | HMGCR (1.00) | HMGCRCYP3A4TSHRKDM4ESMN1; SMN2 | |
| Simvastatin SCHEMBL6841011 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2240569-B1 | LOVASTATIN ESTERASE ENZYME IMMOBILIZED ON SOLID SUPPORT, PROCESS FOR ENZYME IMMOBILIZATION, BIOCATALYTIC FLOW REACTOR AND PROCESS FOR PREPARATION AND/OR PURIFICATION OF SIMVASTATIN | INST CHEMII ORGANICZNEJ POLSKA AKADEMIA NAUK (PL) | 2013-09-11 | — | — | EP | disclosed |
| US-20080021054-A1 | COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE | NUMERATE, INC. | 2008-01-24 | — | — | US | disclosed |
| US-7199126-B2 | Compositions and treatments for inhibiting kinase and/or HMG-CoA reductase | PHARMIX CORPORATION (US) | 2007-04-03 | — | — | US | disclosed |
| US-7183285-B2 | Compositions and treatments for inhibiting kinase and/or HMG-CoA reductase | PHARMIX CORP. (US) | 2007-02-27 | — | — | US | disclosed |
| US-20070015779-A1 | COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE | NUMERATE, INC. | 2007-01-18 | — | — | US | disclosed |
| US-7163945-B2 | Compositions and treatments for inhibiting kinase and/or HMG-CoA reductase | PHARMIX CORP. (US) | 2007-01-16 | — | — | US | disclosed |
| US-20070004758-A1 | COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE | NUMERATE, INC. | 2007-01-04 | — | — | 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 (3 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-20070004758-A1 | COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE | HMGCR, HMGB3, HMGB2 | HMGCR 1/4885CYP3A4 2592/4885TSHR 4455/4885 |
| US-20070015779-A1 | COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE | HMGCR, HMGB3, HMGB2 | HMGCR 1/4885CYP3A4 2595/4885TSHR 4434/4885 |
| US-20080021054-A1 | COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE | HMGCR, HMGB3, HMGB2 | HMGCR 1/4885CYP3A4 2592/4885TSHR 4455/4885 |
“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.