Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
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 | |
|---|---|---|---|---|
| ▸ | ALOX5AP | P20292 | 1/20 | 0.40 |
| ▸ | AKT2 | P31751 | 2/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 5/20 | 0.35 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 5/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.35 |
| ▸ | CDC42BPB | Q9Y5S2 | 3/20 | 0.35 |
| ▸ | CDC42BPA | Q5VT25 | 2/20 | 0.35 |
| ▸ | CLK1 | P49759 | 1/20 | 0.34 |
| ▸ | CLK2 | P49760 | 1/20 | 0.34 |
| ▸ | HIPK1 | Q86Z02 | 1/20 | 0.34 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.34 |
| ▸ | HIPK3 | Q9H422 | 1/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.34 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1483251 | 0.99 | ALOX5AP (0.41) | ALOX5APAKT2AKT1AKT3CHEK1 | |
| Bromide SCHEMBL4471147 | 0.82 | HSD11B1 (0.39) | — | |
| Bromide SCHEMBL4477940 | 0.81 | ALOX5AP (0.37) | ALOX5APCHEK1ROCK2ROCK1GSK3B | |
| SCHEMBL4463296 | 0.81 | HSD11B1 (0.40) | — | |
| SCHEMBL2819424 | 0.81 | KCNH2 (0.36) | AKT2AKT1AKT3ROCK2ROCK1 | |
| Bromide SCHEMBL4461513 | 0.80 | CHRNA7 (0.39) | ALOX5APROCK1MAPK8 | |
| SCHEMBL5216499 | 0.80 | ALOX5AP (0.38) | ALOX5APCHEK1ROCK2ROCK1GSK3B | |
| Bromide SCHEMBL4480044 | 0.80 | RXFP1 (0.40) | — | |
| Bromide SCHEMBL4469519 | 0.79 | ALOX5AP (0.33) | ALOX5AP | |
| Bromide SCHEMBL4482662 | 0.79 | CYP11B1 (0.37) | ALOX5AP |
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-1915375-B1 | DERIVATIVES OF 5-PYRIDINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS | SANOFI AVENTIS (FR) | 2009-10-07 | — | — | EP | claimed |