Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 2/20 | 0.53 |
| ▸ | HMGCR | P04035 | 6/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | PDE6D | O43924 | 1/20 | 0.52 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.52 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.52 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.49 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL426278 | 0.93 | AKT1 (0.52) | AKT1HMGCRALDH1A1CYP3A4PDE6D | |
| Trifluoromethanesulfonic Acid SCHEMBL17967550 | 0.86 | AKT1 (0.49) | AKT1HMGCRALDH1A1CYP3A4PDE6D | |
| SCHEMBL3445256 | 0.86 | HMGCR (0.56) | AKT1HMGCRALDH1A1CYP3A4PDE6D | |
| Bromide SCHEMBL21001081 | 0.85 | HMGCR (0.52) | AKT1HMGCRALDH1A1CYP3A4PDE6D | |
| SCHEMBL4914199 | 0.83 | HMGCR (0.56) | AKT1HMGCRALDH1A1CYP3A4PDE6D | |
| SCHEMBL29482554 | 0.83 | HMGCR (0.58) | AKT1HMGCRALDH1A1CYP3A4PDE6D | |
| SCHEMBL2690 | 0.83 | HMGCR (0.58) | AKT1HMGCRALDH1A1CYP3A4PDE6D | |
| SCHEMBL28860507 | 0.83 | HMGCR (0.56) | AKT1HMGCRALDH1A1CYP3A4PDE6D | |
| SCHEMBL28494229 | 0.83 | HMGCR (0.56) | AKT1HMGCRALDH1A1CYP3A4PDE6D | |
| SCHEMBL9613237 | 0.82 | HMGCR (0.51) | AKT1HMGCRALDH1A1CYP3A4PDE6D |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1912953-B1 | PROCESS FOR THE SYNTHESIS OF ROSUVASTATIN CALCIUM | LEK PHARMACEUTICALS (SI) | 2016-08-17 | — | — | EP | disclosed |
| US-8354530-B2 | Preparation of HMG-CoA reductase inhibitors, in particular rosuvastatin calcium, introducing L-malic acid as source of chirality for side chain; statin core moiety is consecutively coupled with chiral segment containing 4 carbon atoms and segment containing 2 carbon atoms; treating hypercholesterolemia | Lek Pharmaceuticals d. d (SI) | 2013-01-15 | — | — | US | disclosed |
| US-20080255170-A1 | Process for the Synthesis of Rosuvastatin Calcium | LEK PHARMACEUTICALS D.D (SI) | 2008-10-16 | — | — | US | disclosed |
| EP-1912953-A1 | PROCESS FOR THE SYNTHESIS OF ROSUVASTATIN CALCIUM | LEK Pharmaceuticals D.D. (SI) | 2008-04-23 | — | — | EP | disclosed |
| WO-2007017117-A1 | PROCESS FOR THE SYNTHESIS OF ROSUVASTATIN CALCIUM | LEK PHARMACEUTICALS D.D. (SI) | 2007-02-15 | — | — | 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 (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-20080255170-A1 | Process for the Synthesis of Rosuvastatin Calcium | HMGCR, ME1, COASY | AKT1 407/4885HMGCR 1/4885ALDH1A1 1292/4885 |
“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.