Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Iodide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 known ✓ | P20309 | 18/20 | 0.97 |
| ▸ | CHRM1 known ✓ | P11229 | 2/20 | 0.62 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.63 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.62 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.62 |
| ▸ | HRH1 | P35367 | 1/20 | 0.62 |
| ▸ | HTR2B | P41595 | 1/20 | 0.62 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.62 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | THRB | P10828 | 1/20 | 0.51 |
| ▸ | BLM | P54132 | 1/20 | 0.51 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL4240187 | 1.00 | CHRM3 (0.97) | CHRM3CHRM2CHRM4CHRM5CHRM1 | |
| Iodide SCHEMBL4238812 | 1.00 | CHRM3 (0.97) | CHRM3CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL13701452 | 0.99 | CHRM3 (1.00) | CHRM3CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL13701450 | 0.99 | CHRM3 (1.00) | CHRM3CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL27749349 | 0.99 | CHRM3 (1.00) | CHRM3CHRM2CHRM4CHRM5CHRM1 | |
| Iodide SCHEMBL4246799 | 0.97 | CHRM3 (0.93) | CHRM3CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL13701458 | 0.96 | CHRM3 (0.95) | CHRM3CHRM2CHRM4CHRM5CHRM1 | |
| Iodide SCHEMBL4238898 | 0.95 | CHRM3 (0.88) | CHRM3CHRM2CHRM4CHRM5CHRM1 | |
| Iodide SCHEMBL4211301 | 0.94 | CHRM3 (0.98) | CHRM3CHRM2CHRM4CHRM5CHRM1 | |
| Iodide SCHEMBL4217863 | 0.94 | CHRM3 (0.98) | CHRM3CHRM2CHRM4CHRM5CHRM1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2013172-A1 | NEW ALKYL ESTERS OF CYCLIC AMINO ALCOHOLS WITH MUSCARINIC M3 RECEPTOR ANTAGONIST ACTIVITY, USEFUL FOR TREATING E.G. CHRONIC BRONCHIAL OBSTRUCTION, ASTHMA AND OVERACTIVE BLADDER | AstraZeneca AB (SE) | 2009-01-14 | — | — | EP | disclosed |
| WO-2007123465-A1 | NEW ALKYL ESTERS OF CYCLIC AMINO ALCOHOLS WITH MUSCARINIC M3 RECEPTOR ANTAGONIST ACTIVITY, USEFUL FOR TREATING E.G. CHRONIC BRONCHIAL OBSTRUCTION, ASTHMA AND OVERACTIVE BLADDER | ASTRAZENECA AB (SE) | 2007-11-01 | — | — | WO | disclosed |