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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 known ✓ | P20309 | 8/20 | 0.38 |
| ▸ | CHRM2 known ✓ | P08172 | 7/20 | 0.38 |
| ▸ | CHRM1 known ✓ | P11229 | 7/20 | 0.38 |
| ▸ | CHRM4 known ✓ | P08173 | 4/20 | 0.34 |
| ▸ | CHRM5 known ✓ | P08912 | 4/20 | 0.34 |
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.33 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 3/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.38 |
| ▸ | HTR2A | P28223 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4727313 | 0.99 | CHRM2 (0.39) | LMNAALDH1A1CYP3A4HTTSMN1; SMN2 | |
| Bromide SCHEMBL4795145 | 0.78 | LMNA (0.40) | LMNAALDH1A1CYP3A4HTTSMN1; SMN2 | |
| Bromide SCHEMBL4728209 | 0.78 | LMNA (0.40) | LMNAALDH1A1CYP3A4HTTSMN1; SMN2 | |
| SCHEMBL4728714 | 0.78 | CHRM2 (0.40) | LMNAALDH1A1CYP3A4HTTSMN1; SMN2 | |
| SCHEMBL4725559 | 0.77 | CHRM2 (0.39) | LMNAALDH1A1CYP3A4HTTSMN1; SMN2 | |
| SCHEMBL4727424 | 0.77 | CHRM2 (0.39) | LMNAALDH1A1CYP3A4HTTSMN1; SMN2 | |
| Bromide SCHEMBL4779697 | 0.74 | SMN1; SMN2 (0.40) | LMNAALDH1A1CYP3A4HTTSMN1; SMN2 | |
| Bromide SCHEMBL1110634 | 0.73 | LMNA (0.41) | LMNAALDH1A1CYP3A4HTTSMN1; SMN2 | |
| SCHEMBL4726703 | 0.73 | CHRM2 (0.40) | LMNAALDH1A1CYP3A4HTTSMN1; SMN2 | |
| SCHEMBL4726150 | 0.72 | CHRM2 (0.39) | LMNAALDH1A1CYP3A4HTTSMN1; SMN2 |
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-2008023157-A1 | NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS USEFUL AS M3-RECEPTOR MODULATORS | ARGENTA DISCOVERY LIMITED (GB) | 2008-02-28 | — | — | WO | disclosed |