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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 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 SCHEMBL9309040 | 0.76 | GAA (0.42) | ALDH1A1TDP1 | |
| SCHEMBL24442116 | 0.60 | GAA (0.40) | — | |
| SCHEMBL14723220 | 0.57 | METAP2 (0.49) | — | |
| SCHEMBL5754828 | 0.56 | — | — | |
| SCHEMBL1819145 | 0.55 | CYP11B2 (0.51) | ALDH1A1NPSR1TDP1 | |
| SCHEMBL24753063 | 0.55 | TRPA1 (0.49) | ALDH1A1TDP1 | |
| SCHEMBL1981821 | 0.55 | TRPA1 (0.48) | ALDH1A1TDP1 | |
| SCHEMBL22666690 | 0.54 | GAA (0.35) | — | |
| SCHEMBL28953511 | 0.54 | — | — | |
| SCHEMBL3077861 | 0.54 | ALDH1A1 (0.52) | ALDH1A1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5321002-A | Herbicidal derivatives of 2-(1-aryl-4-cyano-5-pyrazolylmethyleneiminooxy)alkanoic acids | FMC CORPORATION (US) | 1994-06-14 | — | — | US | disclosed |