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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL22322594 | 0.98 | CA2 (0.37) | CA2CA4CA5AALDH1A1TDP1 | |
| SCHEMBL22322600 | 0.78 | — | — | |
| SCHEMBL22322559 | 0.77 | — | — | |
| SCHEMBL22322561 | 0.73 | — | — | |
| Bromide SCHEMBL22322596 | 0.73 | ACHE (0.34) | — | |
| SCHEMBL22336356 | 0.70 | ACHE (0.35) | — | |
| SCHEMBL22322608 | 0.63 | USP2 (0.44) | CA2CA4 | |
| SCHEMBL13459606 | 0.61 | HDAC1 (0.46) | CA2CA4CA5AALDH1A1TDP1 | |
| SCHEMBL22336302 | 0.60 | ALDH1A1 (0.49) | CA2ALDH1A1TDP1 | |
| SCHEMBL25169259 | 0.60 | CA2 (0.42) | CA2CA4CA5AALDH1A1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020161248-A1 | HERBICIDAL COMPOUNDS | SYNGENTA CROP PROTECTION AG (CH) | 2020-08-13 | — | — | WO | disclosed |