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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.32 |
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 SCHEMBL8399538 | 1.00 | PTGS1 (0.37) | PTGS1PPARALTA4HCA1CA2 | |
| Bromide SCHEMBL7658326 | 0.90 | POLB (0.35) | POLBTRPV1 | |
| Bromide SCHEMBL7663198 | 0.89 | CCR5 (0.36) | PTGS1CA1CA2CA9CA12 | |
| Bromide SCHEMBL8396939 | 0.88 | PTGS1 (0.41) | PTGS1LTA4HCA1CA2CA9 | |
| Bromide SCHEMBL8396943 | 0.88 | PTGS1 (0.41) | PTGS1LTA4HCA1CA2CA9 | |
| Bromide SCHEMBL7658481 | 0.87 | SMN1; SMN2 (0.40) | POLBTRPV1 | |
| Bromide SCHEMBL7650459 | 0.83 | ALOX15 (0.39) | — | |
| Bromide SCHEMBL7661952 | 0.83 | CCR5 (0.35) | PTGS1CA1CA2CA9CA12 | |
| Bromide SCHEMBL7661951 | 0.83 | CCR5 (0.35) | PTGS1CA1CA2CA9CA12 | |
| Bromide SCHEMBL7656451 | 0.81 | CHRM3 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5990124-A | ALKOXY AND/OR ACYLOXY DI- AND POLY-SUBSTITUTED ARALKYL AND ARALKENYL BIS-QUATERNARY AMMONIUM DERIVATIVES OF CYCLIC ALKANOL DIESTERS; SUCH AS BIS(N-(4-ACETOXY-3-METHOXYBENZYL) TROPANIUM-3-YL)-3,6-ENDOMETHYLENE-1,2,3,6-TETRAHYDROPHTHALATE | GYERMEK LASZLO (US) | 1999-11-23 | — | — | US | disclosed |