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 | 4/20 | 0.61 |
| ▸ | CHRM3 known ✓ | P20309 | 3/20 | 0.61 |
| ▸ | LMNA | P02545 | 5/20 | 0.61 |
| ▸ | MAPT | P10636 | 4/20 | 0.61 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.61 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.61 |
| ▸ | HRH1 | P35367 | 2/20 | 0.61 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.61 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.61 |
| ▸ | ESR1 | P03372 | 1/20 | 0.61 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.61 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.61 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.61 |
| ▸ | HRH2 | P25021 | 1/20 | 0.61 |
| ▸ | HTR2A | P28223 | 1/20 | 0.61 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.61 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.61 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.61 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.61 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL16887883 | 0.99 | LMNA (0.62) | LMNACHRM1MAPTCHRM2CHRM3 | |
| SCHEMBL4661373 | 0.99 | LMNA (0.62) | LMNACHRM1MAPTCHRM2CHRM3 | |
| Bromide SCHEMBL4662300 | 0.97 | LMNA (0.61) | LMNACHRM1MAPTCHRM2CHRM3 | |
| Hydrochloric Acid SCHEMBL4660997 | 0.97 | LMNA (0.61) | LMNACHRM1MAPTCHRM2CHRM3 | |
| Tolterodine SCHEMBL6052412 | 0.91 | CHRM3 (0.78) | LMNACHRM1MAPTCHRM2CHRM3 | |
| Iodide SCHEMBL4662550 | 0.90 | CHRM1 (0.47) | LMNACHRM1MAPTCHRM2CHRM3 | |
| Iodide SCHEMBL4661363 | 0.90 | CHRM1 (0.48) | LMNACHRM1MAPTCHRM2CHRM3 | |
| SCHEMBL4662570 | 0.89 | CHRM1 (0.48) | LMNACHRM1MAPTCHRM2CHRM3 | |
| SCHEMBL4662609 | 0.88 | CHRM1 (0.49) | LMNACHRM1MAPTCHRM2CHRM3 | |
| SCHEMBL4663900 | 0.87 | CHRM1 (0.49) | LMNACHRM1MAPTCHRM2CHRM3 |
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 20 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 |
| EP-1620083-A2 | COMBINATION THERAPIES | Pharmacia & Upjohn Company LLC (US) | 2006-02-01 | — | — | EP | claimed |
| US-6890920-B2 | Quaternary ammonium compounds | PHARMACIA & UPJOHN COMPANY (US) | 2005-05-10 | — | — | US | claimed |
| WO-2004091596-A2 | COMBINATION THERAPIES FOR CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) | PHARMACIA & UPJOHN COMPANY LLC (US) | 2004-10-28 | — | — | WO | claimed |
| WO-2004091597-A2 | METHOD OF TREATING IRRITABLE BOWEL SYNDROME (IBS) | PHARMACIA & UPJOHN COMPANY LLC (US) | 2004-10-28 | — | — | WO | claimed |
| US-20040209916-A1 | Combination therapies | PFIZER INC | 2004-10-21 | — | — | US | claimed |
| EP-1461306-A1 | QUATERNARY AMMONIUM COMPOUNDS AND THEIR USE AS ANTIMUSCARINIC AGENTS | PHARMACIA & UPJOHN COMPANY (US) | 2004-09-29 | — | — | EP | claimed |
| EP-1453789-A2 | N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES | Elan Pharmaceuticals, Inc. (US) | 2004-09-08 | — | — | EP | claimed |
| US-20030158176-A1 | Quaternary ammonium compounds | PHARMACIA & UPJOHN COMPANY | 2003-08-21 | — | — | US | claimed |
| WO-2003040096-A2 | N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES | ELAN PHARMACEUTICALS, INC. (US) | 2003-05-15 | — | — | WO | claimed |
| WO-2003035599-A1 | QUARTERNARY AMMONIUM COMPOUNDS AND THEIR USE AS ANTIMUSCARINIC AGENTS | PHARMACIA & UPJOHN COMPANY (US) | 2003-05-01 | — | — | WO | 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 |
| US-20040220224-A1 | Method of treating irritable bowel syndrome | PFIZER INC | 2004-11-04 | — | — | US | disclosed |
| US-20040209916-A1 | Combination therapies | PFIZER INC | 2004-10-21 | — | — | 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 (4 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-20040209916-A1 | Combination therapies | ADRA2C, ADRB2, ADRA2A | CHRM1 33/4885CHRM3 32/4885LMNA 4231/4885 |
| US-20030158176-A1 | Quaternary ammonium compounds | CLIC1, CLIC4, CORO1C | CHRM1 27/4885CHRM3 129/4885LMNA 3978/4885 |
| US-20050148672-A1 | Quaternary ammonium compounds | BET1, EP300, BRD4 | CHRM1 985/4885CHRM3 2026/4885LMNA 2702/4885 |
| US-20040220224-A1 | Method of treating irritable bowel syndrome | SI, VIP, SLC10A2 | CHRM1 1033/4885CHRM3 897/4885LMNA 4280/4885 |
“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.