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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 8/20 | 0.50 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.47 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.47 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.47 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.47 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.47 |
| ▸ | BCHE | P06276 | 7/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.47 |
| ▸ | RAD52 | P43351 | 2/20 | 0.47 |
| ▸ | EGFR | P00533 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.47 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.47 |
| ▸ | LCK | P06239 | 1/20 | 0.47 |
| ▸ | FYN | P06241 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.47 |
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 SCHEMBL12818867 | 0.79 | ACHE (0.58) | ACHEBCHEHSP90AA1RAD52EGFR | |
| SCHEMBL12484757 | 0.78 | ACHE (0.61) | ACHEBCHEHSP90AA1RAD52EGFR | |
| Hydrochloric Acid SCHEMBL2207971 | 0.78 | KMT2A (0.53) | ACHEBCHEHSP90AA1RAD52EGFR | |
| Bromide SCHEMBL28757895 | 0.78 | ACHE (0.69) | ACHEBCHEHSP90AA1RAD52EGFR | |
| SCHEMBL14197233 | 0.77 | BCHE (0.56) | ACHEBCHE | |
| Hydrochloric Acid SCHEMBL2837787 | 0.77 | KMT2A (0.62) | ACHEBCHEHSP90AA1RAD52EGFR | |
| SCHEMBL25723634 | 0.76 | BCHE (0.45) | ACHEBCHE | |
| Hydrochloric Acid SCHEMBL28065825 | 0.75 | BCHE (0.54) | ACHEBCHEKMT2ASMN1; SMN2 | |
| Iodide SCHEMBL17825559 | 0.74 | CHRM2 (0.66) | ACHEHSP90AA1RAD52EGFRLMNA | |
| SCHEMBL28920956 | 0.73 | ACHE (0.53) | ACHEBCHEHSP90AA1RAD52EGFR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0542846-A1 | N-HYDROCARBYL-4-SUBSTITUTED PIPERIDINES, THEIR PREPARATION AND USE AS CALCIUM BLOCKING AGENTS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1993-05-26 | — | — | EP | disclosed |