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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 5/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.30 |
| ▸ | CA2 | P00918 | 2/20 | 0.30 |
| ▸ | CA9 | Q16790 | 2/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | FGFR1 | P11362 | 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 SCHEMBL8396934 | 1.00 | ALOX15 (0.41) | ALOX15CHRM3CA1CA2CA9 | |
| Bromide SCHEMBL7655365 | 0.91 | ALOX15 (0.41) | ALOX15CHRM3 | |
| Bromide SCHEMBL7661952 | 0.90 | CCR5 (0.35) | CHRM3CA1CA2CA9CA12 | |
| Bromide SCHEMBL7661951 | 0.90 | CCR5 (0.35) | CHRM3CA1CA2CA9CA12 | |
| Bromide SCHEMBL8399528 | 0.89 | ALOX15 (0.39) | ALOX15CHRM3 | |
| Bromide SCHEMBL7650459 | 0.89 | ALOX15 (0.39) | ALOX15CHRM3 | |
| Bromide SCHEMBL8399532 | 0.89 | ALOX15 (0.39) | ALOX15CHRM3 | |
| Bromide SCHEMBL8396906 | 0.86 | ALDH1A1 (0.38) | — | |
| Bromide SCHEMBL8396912 | 0.86 | ALDH1A1 (0.38) | — | |
| Bromide SCHEMBL8396943 | 0.86 | PTGS1 (0.41) | CA1CA2CA9CA12 |
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 |