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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.43 |
| ▸ | BCHE | P06276 | 2/20 | 0.43 |
| ▸ | BACE1 | P56817 | 2/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.42 |
| ▸ | TEAD1 | P28347 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | CLPP | Q16740 | 1/20 | 0.41 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.40 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.40 |
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 SCHEMBL8900165 | 1.00 | BCHE (0.43) | BCHEACHEBACE1SIGMAR1TEAD1 | |
| Bromide SCHEMBL8563395 | 0.87 | HDAC1 (0.43) | ALDH1A1 | |
| Bromide SCHEMBL8563399 | 0.87 | HDAC1 (0.43) | ALDH1A1 | |
| Bromide SCHEMBL8900117 | 0.86 | KCNH2 (0.44) | ALDH1A1KCNH2 | |
| Bromide SCHEMBL8559098 | 0.86 | KCNH2 (0.44) | ALDH1A1KCNH2 | |
| Bromide SCHEMBL8480945 | 0.84 | CYP3A4 (0.41) | SIGMAR1KDM4EALDH1A1CLPP | |
| Bromide SCHEMBL8478935 | 0.84 | CYP3A4 (0.41) | SIGMAR1KDM4EALDH1A1CLPP | |
| Bromide SCHEMBL8567147 | 0.81 | SIGMAR1 (0.47) | SIGMAR1 | |
| Bromide SCHEMBL8899316 | 0.81 | SIGMAR1 (0.47) | SIGMAR1 | |
| Bromide SCHEMBL7887318 | 0.80 | BCHE (0.46) | BCHEACHEBACE1SIGMAR1KDM4E |
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 |