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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 2/20 | 0.41 |
| ▸ | CHRM1 known ✓ | P11229 | 2/20 | 0.41 |
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.41 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.41 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.41 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.41 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 5/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.41 |
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.41 |
| ▸ | RAD52 | P43351 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.41 |
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 SCHEMBL15798390 | 1.00 | HTT (0.44) | HTTCA1CA2SMN1; SMN2LMNA | |
| Bromide SCHEMBL19210213 | 1.00 | HTT (0.44) | HTTCA1CA2SMN1; SMN2LMNA | |
| Bromide SCHEMBL17027655 | 1.00 | HTT (0.44) | HTTCA1CA2SMN1; SMN2LMNA | |
| Bromide SCHEMBL8873590 | 1.00 | HTT (0.44) | HTTCA1CA2SMN1; SMN2LMNA | |
| Bromide SCHEMBL193259 | 1.00 | HTT (0.44) | HTTCA1CA2SMN1; SMN2LMNA | |
| Bromide SCHEMBL14894866 | 1.00 | HTT (0.44) | HTTCA1CA2SMN1; SMN2LMNA | |
| Bromide SCHEMBL15798045 | 1.00 | HTT (0.44) | HTTCA1CA2SMN1; SMN2LMNA | |
| Bromide SCHEMBL8750352 | 0.98 | HTT (0.43) | HTTCA1CA2SMN1; SMN2LMNA | |
| SCHEMBL2328683 | 0.98 | HTT (0.46) | HTTCA1CA2SMN1; SMN2LMNA | |
| SCHEMBL363480 | 0.98 | HTT (0.46) | HTTCA1CA2SMN1; SMN2LMNA |
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-0665835-A1 | OLIGOMERIC HETEROCYCLIC SALTS AND THEIR USE AS ANTIMICROBIAL AGENTS IN SWIMMING POOLS AND SPAS | ZENECA LIMITED (GB) | 1995-08-09 | — | — | EP | claimed |
| EP-0665835-A1 | OLIGOMERIC HETEROCYCLIC SALTS AND THEIR USE AS ANTIMICROBIAL AGENTS IN SWIMMING POOLS AND SPAS | ZENECA LIMITED (GB) | 1995-08-09 | — | — | EP | disclosed |