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 | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 2/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | GBA1 | P04062 | 1/20 | 0.33 |
| ▸ | SNCA | P37840 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL8182049 | 0.96 | HIF1A (0.40) | HIF1ASIGMAR1ALDH1A1GAAKDM4E | |
| Iodide SCHEMBL8182047 | 0.96 | HIF1A (0.40) | HIF1ASIGMAR1ALDH1A1GAAKDM4E | |
| Bromide SCHEMBL129506 | 0.90 | HIF1A (0.48) | HIF1ASIGMAR1ALDH1A1GAAGBA1 | |
| Iodide SCHEMBL13280558 | 0.86 | HIF1A (0.48) | HIF1ASIGMAR1ALDH1A1GAAGBA1 | |
| Bromide SCHEMBL7559694 | 0.86 | HIF1A (0.38) | HIF1ASIGMAR1ALDH1A1GAAMAPT | |
| Bromide SCHEMBL7559700 | 0.86 | HIF1A (0.38) | HIF1ASIGMAR1ALDH1A1GAAMAPT | |
| Bromide SCHEMBL6428595 | 0.82 | HIF1A (0.44) | HIF1AALDH1A1SNCACYP1A2CYP2D6 | |
| Iodide SCHEMBL7042578 | 0.82 | HIF1A (0.38) | HIF1ASIGMAR1ALDH1A1GAAMAPT | |
| Bromide SCHEMBL8173800 | 0.82 | HIF1A (0.47) | HIF1ASIGMAR1ALDH1A1GAAKDM4E | |
| Iodide SCHEMBL8189357 | 0.82 | HIF1A (0.38) | HIF1ASIGMAR1ALDH1A1GAAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-112646589-B | Liquid crystal compound and application thereof | 晶美晟光电材料（南京）有限公司 | 2023-03-31 | — | — | CN | disclosed |
| CN-112646589-A | Liquid crystal compound and application thereof | 晶美晟光电材料（南京）有限公司 | 2021-04-13 | — | — | CN | disclosed |