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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 known ✓ | P11229 | 2/20 | 0.41 |
| ▸ | CHRM3 known ✓ | P20309 | 2/20 | 0.41 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.41 |
| ▸ | HRH1 | P35367 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | HRH2 | P25021 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4771281 | 0.99 | CHRM2 (0.41) | CHRM2CHRM5CHRM1CHRM3HRH1 | |
| Iodide SCHEMBL4661193 | 0.87 | CHRM2 (0.41) | CHRM2CHRM5CHRM1CHRM3HRH1 | |
| SCHEMBL4662576 | 0.85 | CHRM2 (0.42) | CHRM2CHRM5CHRM1CHRM3HRH1 | |
| Iodide SCHEMBL4661017 | 0.84 | CHRM2 (0.51) | CHRM2CHRM5CHRM1CHRM3HRH1 | |
| SCHEMBL4662587 | 0.82 | CHRM2 (0.52) | CHRM2CHRM5CHRM1CHRM3HRH1 | |
| Iodide SCHEMBL4661188 | 0.82 | ALDH1A1 (0.39) | CHRM2CHRM5CHRM1CHRM3HRH1 | |
| Iodide SCHEMBL4661249 | 0.82 | LMNA (0.61) | CHRM2CHRM5CHRM1CHRM3HRH1 | |
| SCHEMBL4662485 | 0.81 | ALDH1A1 (0.39) | CHRM2CHRM5CHRM1CHRM3HRH1 | |
| SCHEMBL4661373 | 0.81 | LMNA (0.62) | CHRM2CHRM5CHRM1CHRM3HRH1 | |
| SCHEMBL4661003 | 0.81 | LMNA (0.43) | CHRM2CHRM5CHRM1CHRM3HRH1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1461306-B1 | QUATERNARY AMMONIUM COMPOUNDS AND THEIR USE AS ANTIMUSCARINIC AGENTS | PHARMACIA & UPJOHN CO LLC (US) | 2008-12-24 | — | — | EP | claimed |
| US-6890920-B2 | Quaternary ammonium compounds | PHARMACIA & UPJOHN COMPANY (US) | 2005-05-10 | — | — | US | claimed |
| US-20030158176-A1 | Quaternary ammonium compounds | PHARMACIA & UPJOHN COMPANY | 2003-08-21 | — | — | US | claimed |
| EP-1461306-B1 | QUATERNARY AMMONIUM COMPOUNDS AND THEIR USE AS ANTIMUSCARINIC AGENTS | PHARMACIA & UPJOHN CO LLC (US) | 2008-12-24 | — | — | EP | disclosed |
| US-7439397-B2 | reacting methyl bromide and 2-[(1R)-3-(diisopropylamino)-1-phenylpropyl]-4-(trifluoromethyl) phenol; formation of (3R)-3-[2-hydroxy-5-(trifluoromethyl)phenyl]-N,N-diisopropyl-N-methyl-3-phenylpropan-1-aminium bromide; asthma, chronic obstructive pulmonary disorder, allergic and infectious rhinitis | PFIZER INC (US) | 2008-10-21 | — | — | US | disclosed |
| US-20050148672-A1 | Quaternary ammonium compounds | RICHARDS IVAN (US) | 2005-07-07 | — | — | US | disclosed |
| US-6890920-B2 | Quaternary ammonium compounds | PHARMACIA & UPJOHN COMPANY (US) | 2005-05-10 | — | — | US | disclosed |
| EP-1461306-A1 | QUATERNARY AMMONIUM COMPOUNDS AND THEIR USE AS ANTIMUSCARINIC AGENTS | PHARMACIA & UPJOHN COMPANY (US) | 2004-09-29 | — | — | EP | disclosed |
| US-20030158176-A1 | Quaternary ammonium compounds | PHARMACIA & UPJOHN COMPANY | 2003-08-21 | — | — | US | disclosed |
| WO-2003035599-A1 | QUARTERNARY AMMONIUM COMPOUNDS AND THEIR USE AS ANTIMUSCARINIC AGENTS | PHARMACIA & UPJOHN COMPANY (US) | 2003-05-01 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030158176-A1 | Quaternary ammonium compounds | CLIC1, CLIC4, CORO1C | CHRM1 27/4885CHRM3 129/4885ACHE 3986/4885 |
| US-20050148672-A1 | Quaternary ammonium compounds | BET1, EP300, BRD4 | CHRM1 985/4885CHRM3 2026/4885ACHE 2211/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.