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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHKA known ✓ | P35790 | 15/20 | 0.54 |
| ▸ | GSK3B | P49841 | 2/20 | 0.35 |
| ▸ | CHKB | Q9Y259 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | PDE5A | O76074 | 1/20 | 0.31 |
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 SCHEMBL2217293 | 0.87 | CHKA (0.56) | CHKACHKB | |
| Bromide SCHEMBL2220284 | 0.86 | CHKA (0.51) | CHKA | |
| SCHEMBL6723947 | 0.70 | CHKA (0.53) | CHKAGSK3BPDE5A | |
| SCHEMBL6723679 | 0.69 | CHKA (0.51) | CHKAGSK3BPDE5A | |
| SCHEMBL6723412 | 0.69 | CHKA (0.51) | CHKAGSK3B | |
| SCHEMBL6723961 | 0.69 | CHKA (0.51) | CHKAGSK3BPDE5A | |
| SCHEMBL6723762 | 0.68 | CHKA (0.50) | CHKAPDE5A | |
| Biphenyl SCHEMBL27793890 | 0.68 | ALDH1A1 (0.53) | CHKAGSK3BSLC6A4PDE5A | |
| SCHEMBL6724011 | 0.68 | CHKA (0.50) | CHKAGSK3BPDE5A | |
| SCHEMBL6723784 | 0.68 | CHKA (0.50) | CHKAGSK3BPDE5A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8586613-B2 | Pyridinium and quinolinium derivatives | UNIVERSIDAD DE GRANADA (ES) | 2013-11-19 | — | — | US | disclosed |
| US-20110178124-A1 | PYRIDINIUM AND QUINOLINIUM DERIVATIVES | CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) | 2011-07-21 | — | — | US | disclosed |
| US-7781458-B2 | Derivatives of pyridine and quinoline | CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) | 2010-08-24 | — | — | US | disclosed |
| EP-2085386-A2 | Pyridinium and quinolinium derivatives as Choline kinase inhibitors | Consejo Superior De Investigaciones Científicas (ES) | 2009-08-05 | — | — | EP | disclosed |
| US-20070185170-A1 | Derivatives of pyridine and quinoline | CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) | 2007-08-09 | — | — | US | disclosed |
| EP-1710236-A1 | DERIVATIVES OF PYRIDINE AND QUINOLINE | CONSEJO SUPERIOR INVESTIGACIONES CIENTIFICAS (CSIC) (ES) | 2006-10-11 | — | — | EP | 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 (2 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-20070185170-A1 | Derivatives of pyridine and quinoline | CHKA, CHKB, PHOSPHO1 | CHKA 1/4885GSK3B 273/4885CHKB 2/4885 |
| US-20110178124-A1 | PYRIDINIUM AND QUINOLINIUM DERIVATIVES | CHKA, PHOSPHO1, CHKB | CHKA 1/4885GSK3B 246/4885CHKB 3/4885 |
“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.