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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | VCP | P55072 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | PPARD | Q03181 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10759367 | 0.98 | CYP2C19 (0.50) | CYP2C19ALDH1A1ACHECA1CA2 | |
| Water SCHEMBL7268737 | 0.97 | ALDH1A1 (0.49) | CYP2C19ALDH1A1ACHECA1CA2 | |
| Bicarbonate SCHEMBL7262670 | 0.92 | CYP2C19 (0.52) | CYP2C19ALDH1A1ACHECA1CA2 | |
| SCHEMBL3042994 | 0.79 | CYP2C19 (0.52) | CYP2C19ALDH1A1ACHECA1CA2 | |
| SCHEMBL27143021 | 0.77 | ALDH1A1 (0.60) | CYP2C19ALDH1A1ACHECA1CA2 | |
| SCHEMBL5373513 | 0.77 | ALDH1A1 (0.47) | CYP2C19ALDH1A1ACHECA1CA2 | |
| SCHEMBL4099979 | 0.76 | ACHE (0.54) | CYP2C19ALDH1A1ACHECA1CA2 | |
| SCHEMBL20592075 | 0.76 | ALDH1A1 (0.49) | CYP2C19ALDH1A1ACHECA1CA2 | |
| SCHEMBL25771 | 0.74 | ALDH1A1 (0.45) | CYP2C19ALDH1A1ACHECA1CA2 | |
| SCHEMBL9227461 | 0.74 | ALDH1A1 (0.45) | CYP2C19ALDH1A1ACHECA1CA2 |
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-6657052-B1 | Labeling DNA or RNA at a specific site consisting of stable precursor, and only becomes reactive upon activation; alkylating only phosphodiester groups; lactonization reaction traps the trialkylphosphate in a stable form. | UNIVERSITY OF ARKANSAS | 2003-12-02 | — | — | US | disclosed |