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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.45 |
| ▸ | LTA4H | P09960 | 2/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL10613331 | 0.81 | TP53 (0.41) | MAPTNPC1ALDH1A1TP53RAB9A | |
| Hydrochloric Acid SCHEMBL8984976 | 0.74 | NQO1 (0.54) | NQO1LTA4HRELATDP1TSHR | |
| Bromide SCHEMBL11255513 | 0.68 | NQO1 (0.45) | NQO1LTA4HRELATDP1TSHR | |
| 1,4-Diethoxybenzene SCHEMBL28186701 | 0.67 | NQO1 (1.00) | NQO1LTA4HRELATDP1TSHR | |
| 1,4-Diethoxybenzene SCHEMBL124015 | 0.67 | NQO1 (1.00) | NQO1LTA4HRELATDP1TSHR | |
| Phenetole SCHEMBL14954068 | 0.66 | LTA4H (0.74) | NQO1LTA4HRELATDP1TSHR | |
| Phenetole SCHEMBL14954469 | 0.66 | LTA4H (0.74) | NQO1LTA4HRELATDP1TSHR | |
| SCHEMBL31423 | 0.66 | NQO1 (0.74) | NQO1LTA4HRELATDP1TSHR | |
| Phenetole SCHEMBL499918 | 0.65 | LTA4H (0.81) | NQO1LTA4HRELATDP1TSHR | |
| Phenetole SCHEMBL10779391 | 0.65 | LTA4H (0.81) | NQO1LTA4HRELATDP1TSHR |
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-4310613-A | QUATERNARY AMMONIUM SALT ANTISLUDGING AGENTS | MITSUBISHI PAPER MILLS, LTD. (JP) | 1982-01-12 | — | — | US | disclosed |