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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 known ✓ | P20309 | 7/20 | 0.49 |
| ▸ | CHRM2 known ✓ | P08172 | 4/20 | 0.49 |
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.47 |
| ▸ | CHRNB2 | P17787 | 5/20 | 0.51 |
| ▸ | CHRNB4 | P30926 | 5/20 | 0.51 |
| ▸ | CHRNA3 | P32297 | 5/20 | 0.51 |
| ▸ | CHRNA7 | P36544 | 5/20 | 0.51 |
| ▸ | CHRNA4 | P43681 | 5/20 | 0.51 |
| ▸ | CHRNA10 | Q9GZZ6 | 4/20 | 0.51 |
| ▸ | CHRNA9 | Q9UGM1 | 4/20 | 0.51 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12633420 | 0.84 | CHRNB2 (0.54) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL12633413 | 0.84 | CHRNB2 (0.54) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL12633507 | 0.82 | CHRNB2 (0.51) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL12633477 | 0.77 | CHRM3 (0.49) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| Bromide SCHEMBL1872734 | 0.75 | CHRM3 (0.62) | CHRM3CHRM2 | |
| Bromide SCHEMBL1872736 | 0.75 | CHRM3 (0.62) | CHRM3CHRM2 | |
| SCHEMBL12633506 | 0.75 | CHRM3 (0.47) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL14448113 | 0.74 | KCNH2 (0.57) | CHRNA7CHRM3CHRM2ACHESLC18A3 | |
| Bromide SCHEMBL1087864 | 0.74 | CHRM2 (0.48) | CHRM3CHRM2SLC18A3ALDH1A1 | |
| SCHEMBL12633520 | 0.74 | CHRNB2 (0.52) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 |
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 |
|---|---|---|---|---|---|---|---|
| US-8153669-B2 | Quaternary ammonium salts as M3 antagonists | NOVARTIS AG (CH) | 2012-04-10 | — | — | US | disclosed |
| EP-1831208-B1 | QUATERNARY AMMONIUM SALTS AS M3 ANTAGONISTS | NOVARTIS AG (CH) | 2011-08-24 | — | — | EP | disclosed |
| US-20090227590-A1 | QUATERNARY AMMONIUM SALTS AS M3 ANTAGONISTS | NOVARTIS AG (CH) | 2009-09-10 | — | — | US | disclosed |
| EP-1831208-A1 | QUATERNARY AMMONIUM SALTS AS M3 ANTAGONISTS | Novartis AG (CH) | 2007-09-12 | — | — | EP | disclosed |
| WO-2006066929-A1 | QUATERNARY AMMONIUM SALTS AS M3 ANTAGONISTS | NOVARTIS AG (CH) | 2006-06-29 | — | — | 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-20090227590-A1 | QUATERNARY AMMONIUM SALTS AS M3 ANTAGONISTS | CHRM2, CHRM1, CHRM3 | CHRM3 3/4885CHRM2 1/4885ACHE 255/4885 |
“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.