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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | TRAP1 | Q12931 | 2/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 8/20 | 0.31 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.30 |
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 SCHEMBL8901714 | 0.88 | TRAP1 (0.41) | HIF1AALDH1A1CYP1A2CYP2D6TSHR | |
| Bromide SCHEMBL7471970 | 0.84 | HIF1A (0.46) | HIF1AALDH1A1CYP1A2CYP2D6TSHR | |
| SCHEMBL9185293 | 0.73 | TRPA1 (0.40) | CYP2D6 | |
| Bromide SCHEMBL2447020 | 0.72 | HIF1A (0.94) | HIF1AALDH1A1CYP1A2CYP2D6TSHR | |
| SCHEMBL31447346 | 0.70 | HIF1A (1.00) | HIF1AALDH1A1CYP1A2CYP2D6TSHR | |
| Bromide SCHEMBL5973883 | 0.69 | SNCA (0.44) | HIF1AALDH1A1 | |
| SCHEMBL8069576 | 0.69 | SLC6A2 (0.35) | ALDH1A1CYP24A1 | |
| SCHEMBL7969044 | 0.67 | POLB (0.37) | ALDH1A1TSHR | |
| Bromide SCHEMBL5809878 | 0.67 | RIPK1 (0.41) | HIF1A | |
| SCHEMBL7981785 | 0.67 | ATM (0.43) | ALDH1A1CYP1A2CYP2D6 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006116872-A1 | METHODS FOR HORMONE PROFILING | NATIONAL RESEARCH COUNCIL OF CANADA (CA) | 2006-11-09 | — | — | WO | disclosed |
| EP-0428286-B1 | 24- and 25-substituted avermectin and milbemycin derivatives | MERCK & CO INC (US) | 2000-04-05 | — | — | EP | disclosed |
| US-5830875-A | PARASITICIDES | MERCK & CO., INC. (US) | 1998-11-03 | — | — | US | disclosed |
| US-5439899-A | A cholestanes for treating human T-cell leukemia/lymphoma viruses | PURDUE RESEARCH FOUNDATION (US) | 1995-08-08 | — | — | US | disclosed |
| EP-0428286-A2 | 24- and 25-substituted avermectin and milbemycin derivatives | MERCK & CO. INC. (US) | 1991-05-22 | — | — | EP | disclosed |