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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
| ▸ | MGLL | Q99685 | 1/20 | 0.30 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.30 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.30 |
| ▸ | HNF4A | P41235 | 1/20 | 0.30 |
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 SCHEMBL4089006 | 0.96 | CHRNB2 (0.35) | CHRNB2CHRNA4ALDH1A1HSD17B10HPGD | |
| Fluoride Ion SCHEMBL5183964 | 0.96 | CHRNB2 (0.35) | CHRNB2CHRNA4ALDH1A1HSD17B10HPGD | |
| Bromide SCHEMBL27477268 | 0.79 | CHRNB2 (0.35) | CHRNB2CHRNA4ALDH1A1HSD17B10HPGD | |
| SCHEMBL31108156 | 0.76 | CHRNB2 (0.36) | CHRNB2CHRNA4ALDH1A1HSD17B10HPGD | |
| SCHEMBL5860378 | 0.76 | CHRNB2 (0.36) | CHRNB2CHRNA4ALDH1A1HSD17B10HPGD | |
| Fluoride SCHEMBL5183962 | 0.76 | CHRNB2 (0.36) | CHRNB2CHRNA4ALDH1A1HSD17B10HPGD | |
| SCHEMBL4059907 | 0.76 | MGLL (0.38) | CHRNB2CHRNA4ALDH1A1HSD17B10HPGD | |
| SCHEMBL6930673 | 0.76 | CHRNB2 (0.36) | CHRNB2CHRNA4ALDH1A1HSD17B10HPGD | |
| Hydrochloric Acid SCHEMBL5184845 | 0.76 | CHRNB2 (0.36) | CHRNB2CHRNA4ALDH1A1HSD17B10HPGD | |
| SCHEMBL28325453 | 0.76 | CHRNB2 (0.36) | CHRNB2CHRNA4ALDH1A1HSD17B10HPGD |
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-1160055-A | Process for reducing by-product in product mixture | HOECHST AG (DE) | 1997-09-24 | — | — | CN | disclosed |