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 | |
|---|---|---|---|---|
| ▸ | CHKA known ✓ | P35790 | 2/20 | 0.85 |
| ▸ | CHRM2 known ✓ | P08172 | 2/20 | 0.57 |
| ▸ | CHRM1 known ✓ | P11229 | 2/20 | 0.57 |
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.57 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.57 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.57 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.57 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.53 |
| ▸ | KDM4A | O75164 | 2/20 | 0.71 |
| ▸ | KDM2A | Q9Y2K7 | 2/20 | 0.71 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.62 |
| ▸ | MEN1 | O00255 | 3/20 | 0.62 |
| ▸ | MAPT | P10636 | 2/20 | 0.62 |
| ▸ | TP53 | P04637 | 1/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.62 |
| ▸ | HTT | P42858 | 3/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.60 |
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 SCHEMBL9674556 | 1.00 | CHKA (0.85) | CHKAKDM4AKDM2AKMT2AMEN1 | |
| SCHEMBL1108055 | 0.98 | CHKA (0.81) | CHKAKDM4AKDM2AKMT2AMEN1 | |
| SCHEMBL17817509 | 0.98 | CHKA (0.81) | CHKAKDM4AKDM2AKMT2AMEN1 | |
| SCHEMBL9329669 | 0.98 | CHKA (0.81) | CHKAKDM4AKDM2AKMT2AMEN1 | |
| SCHEMBL17817506 | 0.98 | CHKA (0.81) | CHKAKDM4AKDM2AKMT2AMEN1 | |
| SCHEMBL23016755 | 0.98 | CHKA (0.81) | CHKAKDM4AKDM2AKMT2AMEN1 | |
| Fluoride Ion SCHEMBL21758539 | 0.96 | CHKA (0.78) | CHKAKDM4AKDM2AKMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL6115401 | 0.96 | CHKA (0.78) | CHKAKDM4AKDM2AKMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL9328425 | 0.96 | CHKA (0.78) | CHKAKDM4AKDM2AKMT2AMEN1 | |
| Water SCHEMBL8976694 | 0.96 | CHKA (0.78) | CHKAKDM4AKDM2AKMT2AMEN1 |
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-7687513-B1 | Aminopyridinium ionic liquids | UNIVERSITY OF NOTRE DAME DU LAC (US) | 2010-03-30 | — | — | US | disclosed |