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 | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.33 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.33 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.33 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.33 |
| ▸ | ADRB3 known ✓ | P13945 | 1/20 | 0.33 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.33 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.33 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.33 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.33 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.33 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.41 |
| ▸ | TBXAS1 | P24557 | 4/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.39 |
| ▸ | QPCT | Q16769 | 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 | |
|---|---|---|---|---|
| SCHEMBL10654788 | 0.98 | — | — | |
| SCHEMBL4066404 | 0.83 | — | — | |
| Bromide SCHEMBL28416620 | 0.80 | NFKB1 (0.48) | CYP11B1CYP11B2CYP19A1CYP17A1TBXAS1 | |
| SCHEMBL179249 | 0.77 | — | — | |
| Methane SCHEMBL27732895 | 0.75 | NFKB1 (0.48) | CYP11B1CYP11B2CYP19A1CYP17A1TBXAS1 | |
| SCHEMBL22412682 | 0.75 | — | — | |
| SCHEMBL26111774 | 0.75 | NFKB1 (0.48) | CYP11B1CYP11B2CYP19A1CYP17A1TBXAS1 | |
| Hydrochloric Acid SCHEMBL29201345 | 0.75 | NFKB1 (0.48) | CYP11B1CYP11B2CYP19A1CYP17A1TBXAS1 | |
| Iodide SCHEMBL29201349 | 0.75 | NFKB1 (0.48) | CYP11B1CYP11B2CYP19A1CYP17A1TBXAS1 | |
| SCHEMBL13919194 | 0.74 | TBXAS1 (0.45) | CYP11B1CYP11B2CYP19A1CYP17A1TBXAS1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105949129-B | A kind of imidazoles bromide ionic liquid and its preparation method and application with amino | 辽宁大学 | 2019-02-19 | — | — | CN | claimed |