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 | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 17/20 | 0.54 |
| ▸ | CHRNB4 | P30926 | 13/20 | 0.54 |
| ▸ | CHRNA3 | P32297 | 13/20 | 0.54 |
| ▸ | CHRNB2 | P17787 | 11/20 | 0.54 |
| ▸ | CHRNA4 | P43681 | 11/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | CHRNA10 | Q9GZZ6 | 3/20 | 0.48 |
| ▸ | CHRNA9 | Q9UGM1 | 3/20 | 0.48 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.48 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.48 |
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 SCHEMBL29894070 | 1.00 | CHRNA7 (0.54) | CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4 | |
| Bromide SCHEMBL29762563 | 0.87 | KDM4E (0.49) | CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4 | |
| Bromide SCHEMBL29100501 | 0.87 | KDM4E (0.49) | CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4 | |
| Bromide SCHEMBL28664714 | 0.87 | KDM4E (0.49) | CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4 | |
| Bromide SCHEMBL30619868 | 0.87 | KDM4E (0.49) | CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL12885024 | 0.78 | KDM4E (0.69) | KDM4EALDH1A1MEN1KMT2AHSD17B10 | |
| SCHEMBL13261015 | 0.78 | KDM4E (0.64) | KDM4EALDH1A1MEN1KMT2ALMNA | |
| Bromide SCHEMBL11153979 | 0.77 | CHRNA7 (0.73) | CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL11156038 | 0.75 | CHRNA7 (0.75) | CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL10701355 | 0.75 | KDM4E (0.51) | KDM4EALDH1A1MEN1KMT2ALMNA |
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-110698354-B | 2- (3, 4-dichloro-phenoxy) ethyl triethyl ammonium halide and preparation method and application thereof | 河南省科学院高新技术研究中心 | 2022-09-30 | — | — | CN | disclosed |
| CN-110698354-A | 2- (3, 4-dichloro-phenoxy) ethyl triethyl ammonium halide and preparation method and application thereof | 河南省科学院高新技术研究中心 | 2020-01-17 | — | — | CN | disclosed |