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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 known ✓ | P20309 | 2/20 | 0.34 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.30 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.30 |
| ▸ | CCR5 | P51681 | 4/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CFD | P00746 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | INSR | P06213 | 1/20 | 0.34 |
| ▸ | IGF1R | P08069 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.32 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.32 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.31 |
| ▸ | CA2 | P00918 | 2/20 | 0.31 |
| ▸ | CA9 | Q16790 | 2/20 | 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 SCHEMBL7661951 | 1.00 | CCR5 (0.35) | CCR5CHRM3TSHRKDM4EALDH1A1 | |
| Bromide SCHEMBL8396943 | 0.95 | PTGS1 (0.41) | TSHRALDH1A1RAB9APTGS1CYP3A4 | |
| Bromide SCHEMBL8396939 | 0.95 | PTGS1 (0.41) | TSHRALDH1A1RAB9APTGS1CYP3A4 | |
| Bromide SCHEMBL8400730 | 0.91 | CHRM3 (0.35) | CHRM3CFD | |
| Bromide SCHEMBL8400729 | 0.91 | CHRM3 (0.35) | CHRM3CFD | |
| Bromide SCHEMBL7663198 | 0.91 | CCR5 (0.36) | CCR5CHRM3TSHRKDM4EALDH1A1 | |
| Bromide SCHEMBL8396930 | 0.90 | ALOX15 (0.41) | CHRM3CA1CA2CA9CA12 | |
| Bromide SCHEMBL8396934 | 0.90 | ALOX15 (0.41) | CHRM3CA1CA2CA9CA12 | |
| Bromide SCHEMBL8396935 | 0.90 | CHRNA7 (0.39) | CCR5CHRM3TSHRKDM4EALDH1A1 | |
| Bromide SCHEMBL8396931 | 0.90 | CHRNA7 (0.39) | CCR5CHRM3TSHRKDM4EALDH1A1 |
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-6376510-B1 | ADMINISTERING A ALKOXY- AND ACYLOXY-SUBSTITUTED ARALKYL AND ARALKENYL BIS QUATERNARY AMMONIUM DERIVATIVES OF CYCLIC ALKANOL DIESTERS TO A HUMAN AS MUSCLE RELAXANTS | NEWLAXANT LLC | 2002-04-23 | — | — | US | disclosed |