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 | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.38 |
| ▸ | CA2 | P00918 | 4/20 | 0.38 |
| ▸ | CA9 | Q16790 | 4/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.35 |
| ▸ | GFER | P55789 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GUSB | P08236 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.33 |
| ▸ | PTPRC | P08575 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 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 | |
|---|---|---|---|---|
| SCHEMBL31307331 | 0.98 | CA12 (0.39) | CA12CA2CA9CA14ALOX5 | |
| SCHEMBL458456 | 0.98 | CA12 (0.39) | CA12CA2CA9CA14ALOX5 | |
| Hydrochloric Acid SCHEMBL454032 | 0.96 | CA12 (0.38) | CA12CA2CA9CA14ALOX5 | |
| Sulfuric Acid SCHEMBL457707 | 0.86 | PTGS1 (0.43) | CA12CA2CA9CA14ALOX5 | |
| Acetic Acid SCHEMBL457559 | 0.86 | CA12 (0.39) | CA12CA2CA9CA14ALOX5 | |
| SCHEMBL457558 | 0.81 | POLB (0.46) | CA12CA2CA9CA14CA1 | |
| Hydrochloric Acid SCHEMBL8640344 | 0.79 | ALOX5 (0.40) | CA12CA2CA9CA14ALOX5 | |
| SCHEMBL457069 | 0.77 | PTGS1 (0.40) | CA12CA2CA9CA1CA7 | |
| Hydrochloric Acid SCHEMBL31307327 | 0.77 | GUSB (0.45) | ALOX5PTGS2GUSBALDH1A1HSD17B10 | |
| Hydrochloric Acid SCHEMBL31307333 | 0.76 | ACHE (0.39) | CA12CA2CA9CA14CA1 |
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-2012031796-A2 | AGENTS FOR COLOURING KERATINIC FIBRES WITH CATIONIC DERIVATIVES OF 1-(2,5-DIHYDROXYPHENYL)PYRIDINIUM | HENKEL AG & CO. KGAA (DE) | 2012-03-15 | — | — | WO | disclosed |