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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 6/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HTR3A | P46098 | 2/20 | 0.36 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.36 |
| ▸ | HTR3B | O95264 | 1/20 | 0.36 |
| ▸ | HTR5A | P47898 | 1/20 | 0.36 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.36 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
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 SCHEMBL8567118 | 1.00 | SLC6A2 (0.47) | SLC6A2SLC6A4SLC6A3HDAC6CYP17A1 | |
| Bromide SCHEMBL7880295 | 0.84 | MEN1 (0.43) | HDAC6 | |
| Bromide SCHEMBL7880298 | 0.84 | MEN1 (0.43) | HDAC6 | |
| Bromide SCHEMBL8897811 | 0.81 | MAPT (0.49) | MCHR1ALDH1A1SIGMAR1MAPT | |
| Bromide SCHEMBL8563694 | 0.81 | MAPT (0.49) | MCHR1ALDH1A1SIGMAR1MAPT | |
| Bromide SCHEMBL8565406 | 0.81 | FADS1 (0.39) | ALDH1A1 | |
| Bromide SCHEMBL8900459 | 0.81 | FADS1 (0.39) | ALDH1A1 | |
| Bromide SCHEMBL9076742 | 0.78 | MEN1 (0.40) | HDAC6ALDH1A1SIGMAR1MAPT | |
| Bromide SCHEMBL9076744 | 0.78 | MEN1 (0.40) | HDAC6ALDH1A1SIGMAR1MAPT | |
| Bromide SCHEMBL8898039 | 0.78 | CA12 (0.47) | CYP17A1ALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-5804577-A | ANTIBIOTICS | HOFFMANN-LA ROCHE INC. (US) | 1998-09-08 | — | — | US | disclosed |
| EP-0761673-A1 | Cephalosporin derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1997-03-12 | — | — | EP | disclosed |