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 | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SNCA | P37840 | 2/20 | 0.41 |
| ▸ | LPL | P06858 | 1/20 | 0.38 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL26696535 | 0.90 | HIF1A (0.64) | HIF1AALDH1A1CYP1A2CYP2D6TSHR | |
| Bromide SCHEMBL11894993 | 0.89 | HIF1A (0.48) | HIF1ASIGMAR1ALDH1A1CYP1A2CYP2D6 | |
| Bromide SCHEMBL2767870 | 0.86 | HIF1A (0.64) | HIF1AALDH1A1CYP1A2CYP2D6TSHR | |
| Bromide SCHEMBL9955351 | 0.85 | HIF1A (0.52) | HIF1AALDH1A1CYP1A2CYP2D6TSHR | |
| Bromide SCHEMBL2211555 | 0.85 | SNCA (0.58) | HIF1ASIGMAR1ALDH1A1SNCALPL | |
| SCHEMBL31526396 | 0.83 | HIF1A (0.67) | HIF1AALDH1A1CYP1A2CYP2D6TSHR | |
| Bromide SCHEMBL9374232 | 0.81 | HIF1A (0.48) | HIF1ASIGMAR1ALDH1A1CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL11228418 | 0.81 | HIF1A (0.64) | HIF1AALDH1A1CYP1A2CYP2D6TSHR | |
| Iodide SCHEMBL15577648 | 0.81 | HIF1A (0.64) | HIF1AALDH1A1CYP1A2CYP2D6TSHR | |
| Bromide SCHEMBL8745302 | 0.81 | HIF1A (0.52) | HIF1ASIGMAR1ALDH1A1CYP1A2CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0563981-B1 | Cis-1,4-substituted 2-butene derivative | CHISSO CORP (JP) | 1997-01-22 | — | — | EP | disclosed |
| US-5401434-A | Cis-1,4-substituted 2-butene derivative | CHISSO CORPORATION (JP) | 1995-03-28 | — | — | US | disclosed |