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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.35 |
| ▸ | CFD | P00746 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
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 SCHEMBL8400729 | 1.00 | CHRM3 (0.35) | CHRM3CFDEPHX2 | |
| Bromide SCHEMBL7661951 | 0.91 | CCR5 (0.35) | CHRM3CFD | |
| Bromide SCHEMBL7661952 | 0.91 | CCR5 (0.35) | CHRM3CFD | |
| Bromide SCHEMBL8396943 | 0.89 | PTGS1 (0.41) | — | |
| Bromide SCHEMBL8396939 | 0.89 | PTGS1 (0.41) | — | |
| Bromide SCHEMBL8400689 | 0.84 | CHRM3 (0.33) | CHRM3 | |
| Bromide SCHEMBL8400687 | 0.84 | CHRM3 (0.33) | CHRM3 | |
| Bromide SCHEMBL7660614 | 0.83 | CHRM3 (0.35) | CHRM3CFD | |
| Bromide SCHEMBL7663198 | 0.83 | CCR5 (0.36) | CHRM3CFD | |
| Bromide SCHEMBL8396037 | 0.83 | PTPN1 (0.35) | CHRM3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5990124-A | ALKOXY AND/OR ACYLOXY DI- AND POLY-SUBSTITUTED ARALKYL AND ARALKENYL BIS-QUATERNARY AMMONIUM DERIVATIVES OF CYCLIC ALKANOL DIESTERS; SUCH AS BIS(N-(4-ACETOXY-3-METHOXYBENZYL) TROPANIUM-3-YL)-3,6-ENDOMETHYLENE-1,2,3,6-TETRAHYDROPHTHALATE | GYERMEK LASZLO (US) | 1999-11-23 | — | — | US | disclosed |