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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.42 |
| ▸ | SCD5 | Q86SK9 | 6/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | SCD | O00767 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6612205 | 0.99 | CHRNA7 (0.43) | CHRNA7HTR3ASCD5RAB9ANPC1 | |
| Bromide SCHEMBL6140198 | 0.88 | CHRNA7 (0.51) | CHRNA7HTR3ARAB9ANPC1MEN1 | |
| Bromide SCHEMBL6139821 | 0.87 | NPC1 (0.42) | CHRNA7HTR3ARAB9ANPC1SMN1; SMN2 | |
| SCHEMBL6614486 | 0.86 | CHRNA7 (0.52) | CHRNA7HTR3ARAB9ANPC1MEN1 | |
| Bromide SCHEMBL6139678 | 0.86 | HRH3 (0.39) | CHRNA7HTR3AKCNH2 | |
| SCHEMBL6610846 | 0.85 | NPC1 (0.43) | CHRNA7HTR3ARAB9ANPC1SMN1; SMN2 | |
| SCHEMBL6615791 | 0.85 | HRH3 (0.40) | CHRNA7HTR3AKCNH2 | |
| Bromide SCHEMBL6139882 | 0.83 | RAB9A (0.48) | SCD5RAB9ANPC1SMN1; SMN2MEN1 | |
| Bromide SCHEMBL6140069 | 0.83 | AR (0.39) | CHRNA7RAB9ANPC1 | |
| SCHEMBL6611520 | 0.82 | RAB9A (0.48) | SCD5RAB9ANPC1SMN1; SMN2MEN1 |
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 |