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 | 0.53 |
| ▸ | CHRM1 known ✓ | P11229 | 2/20 | 0.53 |
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.53 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.53 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.53 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.53 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.50 |
| ▸ | CHKA known ✓ | P35790 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.59 |
| ▸ | MEN1 | O00255 | 4/20 | 0.59 |
| ▸ | MAPT | P10636 | 3/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | HTT | P42858 | 5/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL294322 | 0.92 | KMT2A (0.52) | KMT2AMEN1MAPTTP53CYP1A2 | |
| SCHEMBL300903 | 0.85 | HTT (0.63) | KMT2AMEN1MAPTTP53CYP1A2 | |
| Bromide SCHEMBL8983597 | 0.83 | KMT2A (0.69) | KMT2AMEN1MAPTTP53CYP1A2 | |
| Bromide SCHEMBL8659519 | 0.83 | KMT2A (0.69) | KMT2AMEN1MAPTTP53CYP1A2 | |
| Bromide SCHEMBL7320795 | 0.83 | KMT2A (0.53) | KMT2AMEN1MAPTTP53CYP1A2 | |
| SCHEMBL5302418 | 0.83 | KMT2A (0.68) | KMT2AMEN1MAPTTP53CYP1A2 | |
| Cetylpyridinium SCHEMBL5080744 | 0.83 | KMT2A (0.68) | KMT2AMEN1MAPTTP53CYP1A2 | |
| SCHEMBL5288781 | 0.81 | KMT2A (0.72) | KMT2AMEN1MAPTTP53CYP1A2 | |
| SCHEMBL2553854 | 0.81 | KMT2A (0.72) | KMT2AMEN1MAPTTP53CYP1A2 | |
| SCHEMBL5303878 | 0.81 | KMT2A (0.72) | KMT2AMEN1MAPTTP53CYP1A2 |
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-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 |
| WO-1992002502-A1 | N-HYDROCARBYL-4-SUBSTITUTED PIPERIDINES, THEIR PREPARATION AND USE AS CALCIUM BLOCKING AGENTS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1992-02-20 | — | — | WO | disclosed |