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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 known ✓ | P20309 | 20/20 | 0.63 |
| ▸ | CHRM2 known ✓ | P08172 | 15/20 | 0.63 |
| ▸ | CHRM1 known ✓ | P11229 | 15/20 | 0.63 |
| ▸ | CHRM4 known ✓ | P08173 | 2/20 | 0.52 |
| ▸ | CHRM5 known ✓ | P08912 | 2/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.52 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.52 |
| ▸ | TACR1 | P25103 | 2/20 | 0.52 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.52 |
| ▸ | HRH1 | P35367 | 2/20 | 0.52 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.52 |
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 SCHEMBL4636696 | 0.79 | CHRM3 (1.00) | CHRM3CHRM2CHRM1CHRM4CHRM5 | |
| Bromide SCHEMBL4636618 | 0.79 | CHRM3 (0.69) | CHRM3CHRM2CHRM1 | |
| SCHEMBL4636386 | 0.79 | CHRM3 (0.69) | CHRM3CHRM2CHRM1 | |
| Bromide SCHEMBL4636328 | 0.79 | CHRM3 (0.71) | CHRM3CHRM2CHRM1 | |
| SCHEMBL4637191 | 0.79 | CHRM3 (0.98) | CHRM3CHRM2CHRM1CHRM4CHRM5 | |
| SCHEMBL4636592 | 0.78 | CHRM3 (0.71) | CHRM3CHRM2CHRM1 | |
| Bromide SCHEMBL4636667 | 0.78 | CHRM3 (0.72) | CHRM3CHRM2CHRM1CHRM4CHRM5 | |
| Bromide SCHEMBL4407790 | 0.77 | CHRM3 (0.94) | CHRM3CHRM2CHRM1CHRM4CHRM5 | |
| SCHEMBL4637152 | 0.77 | CHRM3 (0.71) | CHRM3CHRM2CHRM1CHRM4CHRM5 | |
| SCHEMBL73602 | 0.74 | CHRM3 (1.00) | CHRM3CHRM2CHRM1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1725552-A1 | NEW QUATERNIZED QUINUCLIDINE ESTERS | Almirall Prodesfarma, S.A. (ES) | 2006-11-29 | — | — | EP | disclosed |
| WO-2005090342-A1 | NEW QUATERNIZED QUINUCLIDINE ESTERS | ALMIRALL PRODESFARMA, SA (ES) | 2005-09-29 | — | — | WO | disclosed |