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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.36 |
| ▸ | TAB1 | Q15750 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6610561 | 0.99 | AR (0.39) | ARBRD4CXCR1RAB9ANPC1 | |
| Bromide SCHEMBL6140035 | 0.83 | CHRNA7 (0.42) | RAB9ANPC1CHRNA7 | |
| Bromide SCHEMBL6139678 | 0.83 | HRH3 (0.39) | CHRNA7CASP3 | |
| SCHEMBL6612205 | 0.82 | CHRNA7 (0.43) | RAB9ANPC1CHRNA7 | |
| SCHEMBL6615791 | 0.81 | HRH3 (0.40) | CHRNA7CASP3 | |
| Bromide SCHEMBL6139882 | 0.80 | RAB9A (0.48) | RAB9ANPC1MAPT | |
| Bromide SCHEMBL6140198 | 0.80 | CHRNA7 (0.51) | RAB9ANPC1CHRNA7MAPT | |
| SCHEMBL6611520 | 0.79 | RAB9A (0.48) | RAB9ANPC1MAPT | |
| SCHEMBL6614486 | 0.78 | CHRNA7 (0.52) | RAB9ANPC1CHRNA7MAPT | |
| SCHEMBL6176775 | 0.76 | CHRNA7 (0.38) | CNR2CHRNA7MAP3K7TAB1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6844337-B2 | 1,4-diazabicyclo[3.2.2]nonane-phenylisoxazole derivatives, their preparation and their application in therapeutics | SANOFI-SYNTHELABO (FR) | 2005-01-18 | — | — | US | disclosed |