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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 12/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | SIRT6 | Q8N6T7 | 2/20 | 0.40 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.40 |
| ▸ | CCKAR | P32238 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | SLC10A1 | Q14973 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6091326 | 0.87 | HMGCR (0.68) | HMGCRCYP2C9SIRT6ABCC3ABCB11 | |
| SCHEMBL6091344 | 0.80 | HMGCR (0.59) | HMGCRCYP2C9SIRT6ABCC3ABCB11 | |
| Bromide SCHEMBL9763462 | 0.79 | MAPK14 (0.41) | HMGCRCYP2C9SIRT6ABCC3ABCB11 | |
| SCHEMBL6090635 | 0.78 | HMGCR (0.88) | HMGCRCYP2C9SIRT6ABCC3ABCB11 | |
| SCHEMBL6091375 | 0.77 | HMGCR (0.87) | HMGCRCYP2C9SIRT6ABCC3ABCB11 | |
| SCHEMBL6093156 | 0.77 | HMGCR (0.87) | HMGCRCYP2C9SIRT6ABCC3ABCB11 | |
| SCHEMBL6091006 | 0.76 | HMGCR (0.85) | HMGCRCYP2C9SIRT6ABCC3ABCB11 | |
| SCHEMBL6091381 | 0.76 | HMGCR (1.00) | HMGCR | |
| SCHEMBL6093160 | 0.76 | HMGCR (1.00) | HMGCR | |
| SCHEMBL6092706 | 0.75 | HMGCR (0.83) | HMGCRCYP2C9SIRT6ABCC3ABCB11 |
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-2006059210-A2 | FUSED BICYCLIC PYRROLS AS HMG-COA REDUCTASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2006-06-08 | — | — | WO | disclosed |