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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | METAP2 | P50579 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 2/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL9309040 | 0.87 | GAA (0.42) | KDM4EALDH1A1GAALMNAMAPT | |
| Bromide SCHEMBL9309741 | 0.87 | ALDH1A1 (0.31) | ALDH1A1TDP1 | |
| Bromide SCHEMBL9308701 | 0.62 | GABRB3 (0.38) | KDM4EALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL13748819 | 0.62 | AR (0.47) | KDM4EALDH1A1LMNAL3MBTL1AR | |
| SCHEMBL9581513 | 0.60 | AR (0.44) | KDM4EALDH1A1GAALMNAL3MBTL1 | |
| SCHEMBL31195171 | 0.59 | AR (0.42) | KDM4EALDH1A1LMNAARSMN1; SMN2 | |
| SCHEMBL9465161 | 0.59 | AR (0.42) | KDM4EALDH1A1LMNAARSMN1; SMN2 | |
| SCHEMBL12933739 | 0.58 | TRPA1 (0.40) | TRPA1GAAMETAP2CYP1A2AR | |
| SCHEMBL9581766 | 0.58 | GABRP (0.42) | KDM4EALDH1A1LMNAARSMN1; SMN2 | |
| SCHEMBL13755144 | 0.58 | AR (0.45) | KDM4EALDH1A1AR |
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 |