Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Hexocyclium. 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 | |
|---|---|---|---|---|
| ▸ | CHRM1 known ✓ | P11229 | 4/20 | 0.59 |
| ▸ | CHRM3 known ✓ | P20309 | 4/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 6/20 | 0.59 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.59 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.36 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hexocyclium SCHEMBL9705119 | 0.86 | CHRM2 (0.62) | CHRM2CHRM1KCNH2CHRM3KIF11 | |
| Hexocyclium SCHEMBL4323226 | 0.86 | CHRM2 (0.81) | CHRM2CHRM1KCNH2CHRM3CYP2D6 | |
| Hexocyclium SCHEMBL25730 | 0.86 | CHRM2 (0.81) | CHRM2CHRM1KCNH2CHRM3CYP2D6 | |
| Hexocyclium SCHEMBL6665502 | 0.78 | CHRM2 (0.67) | CHRM2CHRM1KCNH2CHRM3CYP2D6 | |
| Hexocyclium SCHEMBL4655295 | 0.78 | CHRM2 (0.61) | CHRM2CHRM1KCNH2CHRM3CYP2D6 | |
| Hexocyclium SCHEMBL934371 | 0.77 | CHRM2 (1.00) | CHRM2CHRM1KCNH2CHRM3CYP2D6 | |
| SCHEMBL5166775 | 0.70 | CHRM2 (0.74) | CHRM2CHRM1KCNH2CHRM3CYP2D6 | |
| SCHEMBL9660473 | 0.69 | CHRM2 (0.81) | CHRM2CHRM1KCNH2CHRM3CYP2D6 | |
| Isopropamide SCHEMBL28086167 | 0.68 | CHRM2 (0.64) | CHRM2CHRM1KCNH2CHRM3CYP2D6 | |
| Poldine SCHEMBL28086707 | 0.68 | CHRM2 (0.67) | CHRM2CHRM1KCNH2CHRM3CYP2D6 |
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-2007056543-A2 | RELAXASE MODULATORS AND METHODS OF USING SAME | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2007-05-18 | — | — | WO | disclosed |