Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
The experimentally established mechanism targets of Hexopyrronium. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 known ✓ | P20309 | 15/20 | 0.98 |
| ▸ | CHRM2 known ✓ | P08172 | 8/20 | 0.98 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.98 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.98 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.98 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.98 |
| ▸ | HRH1 | P35367 | 1/20 | 0.98 |
| ▸ | HTR2B | P41595 | 1/20 | 0.98 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.63 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 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 | |
|---|---|---|---|---|
| Hexopyrronium SCHEMBL5388203 | 1.00 | CHRM3 (0.98) | CHRM3CHRM2KCNH2CHRM4CHRM5 | |
| Hexopyrronium SCHEMBL5388206 | 1.00 | CHRM3 (0.98) | CHRM3CHRM2KCNH2CHRM4CHRM5 | |
| Hexopyrronium SCHEMBL6984703 | 1.00 | CHRM3 (0.98) | CHRM3CHRM2KCNH2CHRM4CHRM5 | |
| Hexopyrronium SCHEMBL5391792 | 1.00 | CHRM3 (0.98) | CHRM3CHRM2KCNH2CHRM4CHRM5 | |
| Hexopyrronium SCHEMBL5388581 | 1.00 | CHRM3 (0.98) | CHRM3CHRM2KCNH2CHRM4CHRM5 | |
| Hexopyrronium SCHEMBL915388 | 1.00 | CHRM3 (0.98) | CHRM3CHRM2KCNH2CHRM4CHRM5 | |
| Hexopyrronium SCHEMBL5391795 | 1.00 | CHRM3 (0.98) | CHRM3CHRM2KCNH2CHRM4CHRM5 | |
| Hexopyrronium SCHEMBL8445043 | 0.99 | CHRM3 (0.98) | CHRM3CHRM2KCNH2CHRM4CHRM5 | |
| Glycopyrronium SCHEMBL131054 | 0.99 | CHRM3 (1.00) | CHRM3CHRM2KCNH2CHRM4CHRM5 | |
| Glycopyrronium SCHEMBL132614 | 0.99 | CHRM3 (1.00) | CHRM3CHRM2KCNH2CHRM4CHRM5 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7253182-B2 | Enantiomerically pure basic arylcycloalkylhydroxycarboxylic esters, processes for their preparation and their use in medicaments | SOFOTEC GMBH & CO. KG (DE) | 2007-08-07 | — | — | US | disclosed |
| US-6613795-B2 | Respiratory system disorders; muscle relaxants | Noe, Christian (DE) | 2003-09-02 | — | — | US | disclosed |
| US-6307060-B1 | ANTISPASMODIC AGENTS | Noe, Christian | 2001-10-23 | — | — | US | disclosed |