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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | SNCA | P37840 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.30 |
| ▸ | TRAP1 | Q12931 | 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 SCHEMBL8529193 | 1.00 | HIF1A (0.38) | HIF1ASNCAALDH1A1CYP1A2CYP2D6 | |
| Iodide SCHEMBL8528209 | 0.77 | HIF1A (0.35) | HIF1ATRPA1 | |
| Iodide SCHEMBL8532172 | 0.77 | HIF1A (0.35) | HIF1ACYP1A2CYP2D6 | |
| Iodide SCHEMBL8528382 | 0.77 | HIF1A (0.35) | HIF1ATRPA1 | |
| Bromide SCHEMBL8436730 | 0.75 | CHRNA7 (0.49) | HIF1AALDH1A1CYP1A2CYP2D6TSHR | |
| Iodide SCHEMBL8528328 | 0.74 | HIF1A (0.33) | HIF1A | |
| Iodide SCHEMBL8529400 | 0.74 | TAAR1 (0.33) | HIF1ASNCACYP1A2CYP2D6TRPA1 | |
| Bromide SCHEMBL9004461 | 0.74 | HIF1A (0.46) | HIF1ASNCAALDH1A1CYP1A2CYP2D6 | |
| Iodide SCHEMBL8533190 | 0.72 | ALDH1A1 (0.32) | HIF1AALDH1A1TSHRCYP2C19 | |
| Iodide SCHEMBL8529110 | 0.72 | ALDH1A1 (0.37) | HIF1AALDH1A1LMNATRAP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5830875-A | PARASITICIDES | MERCK & CO., INC. (US) | 1998-11-03 | — | — | US | disclosed |
| EP-0428286-A2 | 24- and 25-substituted avermectin and milbemycin derivatives | MERCK & CO. INC. (US) | 1991-05-22 | — | — | EP | disclosed |