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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 known ✓ | P20309 | 6/20 | 0.32 |
| ▸ | CHRM2 known ✓ | P08172 | 2/20 | 0.32 |
| ▸ | CHRM1 known ✓ | P11229 | 2/20 | 0.32 |
| ▸ | CHRM5 known ✓ | P08912 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.30 |
| ▸ | DRD1 | P21728 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 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 SCHEMBL8399528 | 1.00 | ALOX15 (0.39) | ALOX15CHRNA7CHRM3CHRM2CHRM1 | |
| Bromide SCHEMBL8396934 | 0.89 | ALOX15 (0.41) | ALOX15CHRM3 | |
| Bromide SCHEMBL8396930 | 0.89 | ALOX15 (0.41) | ALOX15CHRM3 | |
| Bromide SCHEMBL8396935 | 0.85 | CHRNA7 (0.39) | CHRNA7CHRM3CHRM2CHRM1HRH1 | |
| Bromide SCHEMBL8396931 | 0.85 | CHRNA7 (0.39) | CHRNA7CHRM3CHRM2CHRM1HRH1 | |
| Bromide SCHEMBL7654435 | 0.84 | ALOX15 (0.45) | ALOX15CHRNA7CHRM3CHRM2CHRM1 | |
| Bromide SCHEMBL7655365 | 0.81 | ALOX15 (0.41) | ALOX15CHRM3 | |
| Bromide SCHEMBL7972529 | 0.81 | CHRNA7 (0.42) | ALOX15CHRNA7CHRM3CHRM2CHRM1 | |
| Bromide SCHEMBL7972527 | 0.81 | CHRNA7 (0.42) | ALOX15CHRNA7CHRM3CHRM2CHRM1 | |
| Bromide SCHEMBL7650459 | 0.80 | ALOX15 (0.39) | ALOX15CHRM3 |
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 |