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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12639167 | 0.90 | CYP1A2 (0.40) | CYP1A2CYP2C9DRD2ACHEALDH1A1 | |
| Bromide SCHEMBL1886866 | 0.89 | — | — | |
| Bromide SCHEMBL15993074 | 0.89 | — | — | |
| Bromide SCHEMBL3408618 | 0.89 | — | — | |
| Iodide SCHEMBL1887373 | 0.88 | PABPC1 (0.40) | CYP1A2CYP2C9DRD2ACHEALDH1A1 | |
| SCHEMBL14676288 | 0.87 | MEN1 (0.42) | CYP1A2CYP2C9CYP2D6CYP2C19KDM4E | |
| SCHEMBL15992565 | 0.87 | MEN1 (0.42) | CYP1A2CYP2C9CYP2D6CYP2C19KDM4E | |
| Bromide SCHEMBL15992936 | 0.87 | NQO1 (0.41) | CYP1A2CYP2C9ALDH1A1CYP3A4CYP2D6 | |
| Iodide SCHEMBL14676549 | 0.86 | HTT (0.44) | CYP1A2CYP2C9CYP2D6CYP2C19KDM4E | |
| SCHEMBL15999671 | 0.86 | CYP1A2 (0.44) | CYP1A2CYP2C9DRD2ACHEELANE |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2254871-B1 | SALTS COMPRISING ARYL-ALKYL-SUBSTITUTED IMIDAZOLIUM AND TRIAZOLIUM CATIONS AS IONIC FLUIDS | UNIV DRESDEN TECH (DE) | 2016-11-09 | — | — | EP | disclosed |
| EP-2254871-A1 | SALTS COMPRISING ARYL-ALKYL-SUBSTITUTED IMIDAZOLIUM AND TRIAZOLIUM CATIONS AS IONIC FLUIDS | Technische Universität Dresden (DE) | 2010-12-01 | — | — | EP | disclosed |
| WO-2009095012-A1 | SALTS COMPRISING ARYL-ALKYL-SUBSTITUTED IMIDAZOLIUM AND TRIAZOLIUM CATIONS AND THE USE THEREOF | Technische Universität Dresden (DE) | 2009-08-06 | — | — | WO | disclosed |