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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | PLAU | P00749 | 1/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22018295 | 0.99 | KDM4E (0.47) | KDM4EKMT2AEGFRERBB2HTT | |
| Bromide SCHEMBL28625208 | 0.97 | KDM4E (0.46) | KDM4EKMT2AEGFRERBB2HTT | |
| SCHEMBL28628443 | 0.90 | KDM4E (0.46) | KDM4EKMT2AEGFRERBB2HTT | |
| Trifluoroacetic Acid SCHEMBL28630129 | 0.90 | NR1H3 (0.40) | KDM4EKMT2AEGFRERBB2HTT | |
| Bromide SCHEMBL21964158 | 0.88 | KDM4E (0.42) | KDM4EKMT2AEGFRERBB2HTT | |
| SCHEMBL22018654 | 0.87 | KDM4E (0.43) | KDM4EKMT2AEGFRERBB2HTT | |
| SCHEMBL22018051 | 0.83 | KMT2A (0.44) | KDM4EKMT2AEGFRERBB2HTT | |
| SCHEMBL22017867 | 0.82 | KDM4E (0.32) | KDM4EPOLB | |
| SCHEMBL28630126 | 0.81 | NR1H3 (0.39) | KDM4EKMT2AEGFRERBB2HTT | |
| SCHEMBL22018658 | 0.80 | GABRA5 (0.35) | KDM4EPOLB |
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-113329629-A | Herbicidal compounds | 先正达农作物保护股份公司 | 2021-08-31 | — | — | CN | disclosed |