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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.75 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.75 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.70 |
| ▸ | SLC47A2 | Q86VL8 | 1/20 | 0.70 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.70 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.68 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | RAD52 | P43351 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | MTOR | P42345 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL8760594 | 1.00 | KCNH2 (0.75) | KCNH2AGTR1SLC22A2SLC47A2SLC47A1 | |
| Bromide SCHEMBL8760605 | 1.00 | KCNH2 (0.75) | KCNH2AGTR1SLC22A2SLC47A2SLC47A1 | |
| SCHEMBL8759491 | 0.99 | KCNH2 (0.76) | KCNH2AGTR1SLC22A2SLC47A2SLC47A1 | |
| SCHEMBL8759496 | 0.99 | KCNH2 (0.76) | KCNH2AGTR1SLC22A2SLC47A2SLC47A1 | |
| Bromide SCHEMBL8761174 | 0.94 | KCNH2 (0.67) | KCNH2AGTR1SLC22A2SLC47A2SLC47A1 | |
| SCHEMBL13851843 | 0.94 | KCNH2 (0.77) | KCNH2AGTR1SLC22A2SLC47A2SLC47A1 | |
| SCHEMBL13890594 | 0.94 | KCNH2 (0.77) | KCNH2AGTR1SLC22A2SLC47A2SLC47A1 | |
| Bromide SCHEMBL8761012 | 0.93 | KCNH2 (0.85) | KCNH2AGTR1SLC22A2SLC47A2SLC47A1 | |
| Bromide SCHEMBL8761017 | 0.93 | KCNH2 (0.85) | KCNH2AGTR1SLC22A2SLC47A2SLC47A1 | |
| Bromide SCHEMBL8761015 | 0.93 | KCNH2 (0.85) | KCNH2AGTR1SLC22A2SLC47A2SLC47A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0608495-B1 | Androstane derivatives substituted by a quaternary ammonium group in 16-position, pharmaceutical compositions containing them and process for preparing same | MARUISHI PHARMA (JP) | 1997-06-04 | — | — | EP | claimed |
| EP-0608495-A2 | Androstane derivatives substituted by a quaternary ammonium group in 16-position, pharmaceutical compositions containing them and process for preparing same | Maruishi Pharmaceutical Co., Ltd. (JP) | 1994-08-03 | — | — | EP | claimed |
| EP-0608495-B1 | Androstane derivatives substituted by a quaternary ammonium group in 16-position, pharmaceutical compositions containing them and process for preparing same | MARUISHI PHARMA (JP) | 1997-06-04 | — | — | EP | disclosed |
| US-5591735-A | MUSCLE RELAXANTS, BLOCKING TRANSMISSION OF NERVE IMPULSES TO STRIATED MUSCLES | MARVISHI PHARMACEUTICAL CO., LTD. (JP) | 1997-01-07 | — | — | US | disclosed |
| EP-0608495-A2 | Androstane derivatives substituted by a quaternary ammonium group in 16-position, pharmaceutical compositions containing them and process for preparing same | Maruishi Pharmaceutical Co., Ltd. (JP) | 1994-08-03 | — | — | EP | disclosed |