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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | BDKRB2 | P30411 | 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL5086904 | 0.95 | TP53 (0.48) | TP53TRPA1TAAR1SIGMAR1SLC6A2 | |
| Bromide SCHEMBL5091531 | 0.95 | TP53 (0.48) | TP53TRPA1TAAR1SIGMAR1SLC6A2 | |
| Bromide SCHEMBL5088078 | 0.95 | TP53 (0.48) | TP53TRPA1TAAR1SIGMAR1SLC6A2 | |
| Hydrochloric Acid SCHEMBL5085369 | 0.95 | TP53 (0.48) | TP53TRPA1TAAR1SIGMAR1SLC6A2 | |
| Phosphine SCHEMBL28106805 | 0.93 | TP53 (0.46) | TP53TRPA1TAAR1SIGMAR1SLC6A2 | |
| Hydrochloric Acid SCHEMBL2685431 | 0.90 | TP53 (0.48) | TP53TRPA1TAAR1SIGMAR1SLC6A2 | |
| Fluoride Ion SCHEMBL5246642 | 0.90 | TP53 (0.48) | TP53TRPA1TAAR1SIGMAR1SLC6A2 | |
| Water SCHEMBL7721938 | 0.90 | TP53 (0.48) | TP53TRPA1TAAR1SIGMAR1SLC6A2 | |
| Fluoride Ion SCHEMBL11373889 | 0.90 | TP53 (0.48) | TP53TRPA1TAAR1SIGMAR1SLC6A2 | |
| Hydrochloric Acid SCHEMBL2526828 | 0.90 | TP53 (0.48) | TP53TRPA1TAAR1SIGMAR1SLC6A2 |
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 |