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 | |
|---|---|---|---|---|
| ▸ | LIPE | Q05469 | 4/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.35 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 SCHEMBL8560350 | 1.00 | LIPE (0.40) | LIPEHDAC8HDAC6ROCK2GPR119 | |
| Bromide SCHEMBL7885612 | 0.85 | LIPE (0.41) | LIPEHDAC8HDAC6ROCK2GPR119 | |
| Bromide SCHEMBL7885616 | 0.85 | LIPE (0.41) | LIPEHDAC8HDAC6ROCK2GPR119 | |
| Bromide SCHEMBL8565335 | 0.82 | SIRT2 (0.48) | HDAC8HDAC6GPR119HDAC1SIRT2 | |
| Bromide SCHEMBL7880298 | 0.79 | MEN1 (0.43) | HDAC8HDAC6ROCK2HDAC1USP30 | |
| Bromide SCHEMBL7880295 | 0.79 | MEN1 (0.43) | HDAC8HDAC6ROCK2HDAC1USP30 | |
| Bromide SCHEMBL8567797 | 0.79 | KMT2A (0.38) | LIPEHDAC8HDAC6ROCK2GPR119 | |
| Bromide SCHEMBL8898969 | 0.79 | KMT2A (0.38) | LIPEHDAC8HDAC6ROCK2GPR119 | |
| Bromide SCHEMBL8899830 | 0.79 | MCHR1 (0.37) | LIPEROCK2TSHR | |
| Bromide SCHEMBL8565830 | 0.79 | MCHR1 (0.37) | LIPEROCK2TSHR |
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 |