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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.41 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.43 |
| ▸ | CLPP | Q16740 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
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 SCHEMBL8599535 | 1.00 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2SIGMAR1CHRM2CHRM3 | |
| Bromide SCHEMBL8563395 | 0.87 | HDAC1 (0.43) | ALDH1A1MEN1KMT2A | |
| Bromide SCHEMBL8563399 | 0.87 | HDAC1 (0.43) | ALDH1A1MEN1KMT2A | |
| Bromide SCHEMBL8900117 | 0.86 | KCNH2 (0.44) | ALDH1A1SMN1; SMN2 | |
| Bromide SCHEMBL8559098 | 0.86 | KCNH2 (0.44) | ALDH1A1SMN1; SMN2 | |
| Bromide SCHEMBL8563260 | 0.83 | SIGMAR1 (0.50) | ALDH1A1SIGMAR1CHRM2CHRM3CLPP | |
| Bromide SCHEMBL8901003 | 0.83 | SIGMAR1 (0.50) | ALDH1A1SIGMAR1CHRM2CHRM3CLPP | |
| Bromide SCHEMBL31047564 | 0.81 | FAAH (0.39) | FAAH | |
| Bromide SCHEMBL8568645 | 0.79 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2SIGMAR1CLPPKDM4E | |
| Bromide SCHEMBL8480945 | 0.79 | CYP3A4 (0.41) | ALDH1A1SIGMAR1CLPPKDM4EMEN1 |
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-0761673-A1 | Cephalosporin derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1997-03-12 | — | — | EP | disclosed |