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 | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 3/20 | 0.46 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.46 |
| ▸ | CHRNA7 | P36544 | 6/20 | 0.40 |
| ▸ | CHRNA10 | Q9GZZ6 | 6/20 | 0.40 |
| ▸ | CHRNA9 | Q9UGM1 | 6/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | MMP12 | P39900 | 1/20 | 0.34 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | ACACB | O00763 | 2/20 | 0.33 |
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 SCHEMBL3314057 | 0.87 | FFAR1 (0.46) | FFAR1FFAR4CHRNA7CHRNA10CHRNA9 | |
| Bromide SCHEMBL16105114 | 0.86 | HTT (0.45) | FFAR1FFAR4CHRNA7CHRNA10CHRNA9 | |
| Bromide SCHEMBL16105159 | 0.86 | CHRNA7 (0.49) | FFAR1FFAR4CHRNA7CHRNA10CHRNA9 | |
| SCHEMBL13334202 | 0.85 | FFAR1 (0.47) | FFAR1FFAR4MMP2MMP12TNK2 | |
| Bromide SCHEMBL16105104 | 0.82 | CHRNA7 (0.57) | FFAR1FFAR4CHRNA7CHRNA10CHRNA9 | |
| Bromide SCHEMBL3311264 | 0.80 | CHRNA7 (0.60) | CHRNA7CHRNA10CHRNA9CHRNB2CHRNB4 | |
| SCHEMBL12638076 | 0.80 | CHRNA7 (0.51) | CHRNA7CHRNA10CHRNA9CHRNB2CHRNB4 | |
| SCHEMBL13334246 | 0.80 | FFAR1 (0.49) | FFAR1FFAR4CHRNA7CHRNA10CHRNA9 | |
| Bromide SCHEMBL16105103 | 0.79 | FFAR1 (0.41) | FFAR1FFAR4CHRNA7CHRNA10CHRNA9 | |
| SCHEMBL13334206 | 0.78 | CHRNA7 (0.59) | CHRNA7CHRNA10CHRNA9CHRNB2CHRNB4 |
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-8846937-B2 | Mono quaternary ammonium salts and methods for modulating neuronal nicotinic acetylcholine receptors | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2014-09-30 | — | — | US | claimed |