Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | ESR1 | P03372 | 2/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 SCHEMBL28395471 | 0.82 | CYP3A4 (0.55) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL28392639 | 0.79 | CYP3A4 (0.57) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Allylamine SCHEMBL29191439 | 0.79 | CYP3A4 (0.57) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL1652820 | 0.79 | TDP1 (0.57) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL5568418 | 0.79 | CYP3A4 (0.57) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Vinyl Chloride SCHEMBL7604262 | 0.78 | CYP3A4 (0.63) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Bromide SCHEMBL29016942 | 0.78 | CYP3A4 (0.63) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Iodide SCHEMBL28394575 | 0.77 | CYP3A4 (0.55) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL28783891 | 0.77 | CYP3A4 (0.55) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Hydrochloric Acid SCHEMBL28389801 | 0.77 | CYP3A4 (0.55) | CYP3A4TDP1ESR1ESR2KDM4E |
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-110845343-B | Method for synthesizing primary amine by ruthenium catalysis | 南方科技大学 | 2023-04-21 | — | — | CN | disclosed |