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 | |
|---|---|---|---|---|
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.48 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.39 |
| ▸ | KDM1A | O60341 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 3/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 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 SCHEMBL8562348 | 0.84 | SCN1A (0.35) | SIRT1GPR119 | |
| Bromide SCHEMBL8898875 | 0.82 | LIPE (0.40) | SIRT2SIRT1HDAC1HDAC6HDAC8 | |
| Bromide SCHEMBL8560350 | 0.82 | LIPE (0.40) | SIRT2SIRT1HDAC1HDAC6HDAC8 | |
| Bromide SCHEMBL8899846 | 0.81 | PKM (0.41) | HDAC1HDAC6HDAC8KMT2AMEN1 | |
| Bromide SCHEMBL8899853 | 0.81 | PKM (0.41) | HDAC1HDAC6HDAC8KMT2AMEN1 | |
| Bromide SCHEMBL8563399 | 0.81 | HDAC1 (0.43) | HDAC1HDAC6HDAC8KMT2AMEN1 | |
| Bromide SCHEMBL8563395 | 0.81 | HDAC1 (0.43) | HDAC1HDAC6HDAC8KMT2AMEN1 | |
| Bromide SCHEMBL7619358 | 0.81 | PLA2G10 (0.45) | GPR119 | |
| Bromide SCHEMBL7619361 | 0.81 | PLA2G10 (0.45) | GPR119 | |
| Bromide SCHEMBL8560227 | 0.80 | APP (0.38) | KMT2AMEN1 |
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 |