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 | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.42 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 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 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.38 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | MGLL | Q99685 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | ACP3 | P15309 | 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) | HIF1ATAAR1HTR2AALDH1A1CYP1A2 | |
| Bromide SCHEMBL2767870 | 0.86 | HIF1A (0.64) | HIF1ATAAR1HTR2AALDH1A1CYP1A2 | |
| SCHEMBL31526396 | 0.83 | HIF1A (0.67) | HIF1ATAAR1HTR2AALDH1A1CYP1A2 | |
| Hydrochloric Acid SCHEMBL11228418 | 0.81 | HIF1A (0.64) | HIF1ATAAR1HTR2AALDH1A1CYP1A2 | |
| Iodide SCHEMBL15577648 | 0.81 | HIF1A (0.64) | HIF1ATAAR1HTR2AALDH1A1CYP1A2 | |
| Bromide SCHEMBL9955351 | 0.81 | HIF1A (0.52) | HIF1ATAAR1ALDH1A1CYP1A2CYP2D6 | |
| Bromide SCHEMBL2768948 | 0.81 | HIF1A (0.52) | HIF1ATAAR1ALDH1A1CYP1A2CYP2D6 | |
| Bromide SCHEMBL8745323 | 0.81 | HIF1A (0.52) | HIF1AHTR2AALDH1A1CYP1A2CYP2D6 | |
| Bromide SCHEMBL275340 | 0.80 | SNCA (0.61) | HIF1AHTR2AALDH1A1SNCASIGMAR1 | |
| Bromide SCHEMBL9374232 | 0.78 | HIF1A (0.48) | HIF1ATAAR1HTR2AALDH1A1CYP1A2 |
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 6 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 |
| EP-0410756-B1 | Cyclohexenylethane compounds | CHISSO CORP (JP) | 1994-09-14 | — | — | EP | disclosed |
| EP-0563981-A2 | Cis-1,4-substituted 2-butene derivative | Chisso Corporation (JP) | 1993-10-06 | — | — | EP | disclosed |
| US-5064565-A | Liquid crystals | CHISSO CORPORATION (JP) | 1991-11-12 | — | — | US | disclosed |
| EP-0410756-A1 | Cyclohexenylethane compounds | Chisso Corporation (JP) | 1991-01-30 | — | — | EP | disclosed |