Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 6/20 | 0.38 |
| ▸ | CHRM3 known ✓ | P20309 | 3/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | PABPC1 | P11940 | 2/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.37 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 SCHEMBL7619009 | 1.00 | CHRNA7 (0.40) | CHRNA7CHRM2CHRM1CHRM3HRH1 | |
| Bromide SCHEMBL7613494 | 0.85 | APOBEC3A (0.40) | CHRNA7CHRM2CHRM1CHRM3HRH1 | |
| Bromide SCHEMBL7618930 | 0.83 | APOBEC3A (0.40) | CHRNA7CHRM2CHRM1CHRM3HRH1 | |
| Bromide SCHEMBL7962284 | 0.77 | CHRM2 (0.53) | CHRNA7CHRM2CHRM1CHRM3HRH1 | |
| Bromide SCHEMBL8082351 | 0.77 | ALOX15 (0.44) | CHRNA7CHRM2CHRM1CHRM3HRH1 | |
| Bromide SCHEMBL7972301 | 0.77 | ALOX15 (0.44) | CHRNA7CHRM2CHRM1CHRM3HRH1 | |
| Bromide SCHEMBL7976104 | 0.77 | CHRNA7 (0.54) | CHRNA7CHRM2CHRM1CHRM3HRH1 | |
| Bromide SCHEMBL7622351 | 0.76 | CHRNA7 (0.50) | CHRNA7CHRM2CHRM1CHRM3HRH1 | |
| Bromide SCHEMBL7622356 | 0.76 | CHRNA7 (0.50) | CHRNA7CHRM2CHRM1CHRM3HRH1 | |
| Bromide SCHEMBL7616122 | 0.76 | CHRM3 (0.39) | CHRNA7CHRM2CHRM1CHRM3HRH1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1150673-A4 | MONO-ACYLOXY ARALKYL NEUROMUSCULAR RELAXANTS | NEWLAXANT L L C (US) | 2002-04-24 | — | — | EP | disclosed |
| EP-1150673-A1 | MONO-ACYLOXY ARALKYL NEUROMUSCULAR RELAXANTS | Newlaxant, L.L.C. (US) | 2001-11-07 | — | — | EP | disclosed |
| WO-2000044377-A1 | MONO-ACYLOXY ARALKYL NEUROMUSCULAR RELAXANTS | NEWLAXANT, L.L.C. (US) | 2000-08-03 | — | — | WO | disclosed |