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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.46 |
| ▸ | CHRM3 known ✓ | P20309 | 9/20 | 0.42 |
| ▸ | CHRM1 known ✓ | P11229 | 8/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 10/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | RGS12 | O14924 | 1/20 | 0.40 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.40 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.34 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL4095278 | 0.80 | CHRM3 (0.57) | CHRM2CHRM3CHRM1 | |
| Bromide SCHEMBL4080636 | 0.80 | CHRM3 (0.59) | CHRM2CHRM3CHRM1 | |
| Iodide SCHEMBL4095032 | 0.73 | CHRM2 (0.48) | BCHEACHECHRM2CHRM3CHRM1 | |
| SCHEMBL1926671 | 0.69 | CHRM2 (0.56) | BCHEACHECHRM2CHRM3CHRM1 | |
| SCHEMBL1926669 | 0.69 | CHRM2 (0.56) | BCHEACHECHRM2CHRM3CHRM1 | |
| Iodide SCHEMBL4094583 | 0.67 | CHRM2 (0.65) | BCHEACHECHRM2CHRM3CHRM1 | |
| Iodide SCHEMBL1925665 | 0.66 | CHRM2 (0.71) | BCHEACHECHRM2CHRM3CHRM1 | |
| SCHEMBL228831 | 0.66 | CHRM2 (0.54) | BCHEACHECHRM2CHRM3CHRM1 | |
| SCHEMBL228830 | 0.66 | CHRM2 (0.54) | BCHEACHECHRM2CHRM3CHRM1 | |
| SCHEMBL1924969 | 0.65 | CHRM2 (0.72) | CHRM2CHRM3CHRM1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090054480-A1 | NOVEL QUINUCLIDINE CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME | LABORATORIOS ALMIRALL S.A. | 2009-02-26 | — | — | US | claimed |
| US-7435742-B2 | Quinuclidine derivatives and pharmaceutical compositions containing the same | LABORATORIOS ALMIRALL S.A. (ES) | 2008-10-14 | — | — | US | claimed |
| US-20060094751-A1 | Quinuclidine derivatives and pharmaceutical compositions containing the same | ALMIRALL, S.A. (ES) | 2006-05-04 | — | — | US | claimed |
| EP-1515968-A2 | QUINUCLIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | Almirall Prodesfarma AG (CH) | 2005-03-23 | — | — | EP | claimed |
| WO-2004000840-A2 | QUINUCLIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | ALMIRALL PRODESFARMA AG (CH) | 2003-12-31 | — | — | WO | claimed |
| US-20090054480-A1 | NOVEL QUINUCLIDINE CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME | LABORATORIOS ALMIRALL S.A. | 2009-02-26 | — | — | US | disclosed |
| US-20090005412-A1 | NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME | LABORATORIOS ALMIRALL S.A. | 2009-01-01 | — | — | US | disclosed |
| US-7435742-B2 | Quinuclidine derivatives and pharmaceutical compositions containing the same | LABORATORIOS ALMIRALL S.A. (ES) | 2008-10-14 | — | — | US | disclosed |
| US-20060094751-A1 | Quinuclidine derivatives and pharmaceutical compositions containing the same | ALMIRALL, S.A. (ES) | 2006-05-04 | — | — | US | disclosed |
| EP-1515968-A2 | QUINUCLIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | Almirall Prodesfarma AG (CH) | 2005-03-23 | — | — | EP | disclosed |
| WO-2004000840-A2 | QUINUCLIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | ALMIRALL PRODESFARMA AG (CH) | 2003-12-31 | — | — | 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 (3 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-20090005412-A1 | NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME | CHRM3, CHRM2, CHRM1 | ACHE 22/4885CHRM3 1/4885CHRM1 3/4885 |
| US-20060094751-A1 | Quinuclidine derivatives and pharmaceutical compositions containing the same | CHRM3, CHRM2, CHRM1 | ACHE 20/4885CHRM3 1/4885CHRM1 3/4885 |
| US-20090054480-A1 | NOVEL QUINUCLIDINE CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME | CHRM3, CHRM2, CHRM1 | ACHE 22/4885CHRM3 1/4885CHRM1 3/4885 |
“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.