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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5085003 | 0.95 | TRPA1 (0.50) | TRPA1SIGMAR1TAAR1SLC6A2SLC6A4 | |
| Iodide SCHEMBL5087749 | 0.95 | TRPA1 (0.50) | TRPA1SIGMAR1TAAR1SLC6A2SLC6A4 | |
| Bromide SCHEMBL5093241 | 0.87 | SIGMAR1 (0.54) | TRPA1SIGMAR1TAAR1SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL5086675 | 0.82 | SIGMAR1 (0.54) | TRPA1SIGMAR1TAAR1SLC6A2SLC6A4 | |
| Iodide SCHEMBL5084931 | 0.82 | SIGMAR1 (0.54) | TRPA1SIGMAR1TAAR1SLC6A2SLC6A4 | |
| Bromide SCHEMBL5088337 | 0.82 | SIGMAR1 (0.46) | TRPA1SIGMAR1TAAR1SLC6A2SLC6A4 | |
| Bromide SCHEMBL5092790 | 0.79 | SIGMAR1 (0.56) | TRPA1SIGMAR1TAAR1SLC6A2SLC6A4 | |
| Bromide SCHEMBL5086899 | 0.79 | CSNK1E (0.47) | SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3 | |
| Bromide SCHEMBL5088078 | 0.78 | TP53 (0.48) | TRPA1SIGMAR1TAAR1SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL5337251 | 0.78 | SIGMAR1 (0.50) | TRPA1SIGMAR1TAAR1SLC6A2SLC6A4 |
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-20080214386-A1 | Stability; easily separated from solution; surface treatment of catalyst with Group seven compound; reacting epoxide with carbon dioxide | NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 2008-09-04 | — | — | US | disclosed |