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 | 4/20 | 0.38 |
| ▸ | CHKA known ✓ | P35790 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MITF | O75030 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | BCHE | P06276 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13153777 | 0.98 | CYP2D6 (0.42) | CYP2D6CYP2C19ALDH1A1KDM4ESMN1; SMN2 | |
| Bromide SCHEMBL8887971 | 0.78 | CYP2D6 (0.39) | CYP2D6CYP2C19ALDH1A1KDM4ESMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL19468869 | 0.76 | KDM4E (0.38) | ALDH1A1KDM4ESMN1; SMN2HPGDHTT | |
| Bromide SCHEMBL504672 | 0.73 | SMN1; SMN2 (0.57) | CYP2D6CYP2C19ALDH1A1KDM4ESMN1; SMN2 | |
| Bromide SCHEMBL30982171 | 0.73 | SMN1; SMN2 (0.57) | CYP2D6CYP2C19ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL19504950 | 0.71 | CHKA (0.51) | ACHEBCHECHKA | |
| SCHEMBL19504952 | 0.71 | CHKA (0.55) | ACHEBCHECHKA | |
| SCHEMBL2469671 | 0.71 | RAB9A (0.53) | CYP2D6CYP2C19ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL29519716 | 0.71 | RAB9A (0.53) | CYP2D6CYP2C19ALDH1A1KDM4ESMN1; SMN2 | |
| Bromide SCHEMBL31320108 | 0.71 | PKM (0.45) | ALDH1A1HPGDNPC1RAB9ACA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010120854-A1 | CHEMICAL COMPOUNDS | GLAXOSMITHKLINE LLC (US) | 2010-10-21 | — | — | WO | disclosed |