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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 known ✓ | P20309 | 18/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 8/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
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 SCHEMBL99534 | 0.93 | NPC1 (0.46) | CHRM3ADRB2NPC1RAB9A | |
| Iodide SCHEMBL99283 | 0.91 | CHRM3 (0.38) | CHRM3ADRB2NPC1RAB9ABRD4 | |
| Iodide SCHEMBL98738 | 0.89 | CHRM3 (0.40) | CHRM3ADRB2 | |
| SCHEMBL663138 | 0.89 | CHRM3 (0.51) | CHRM3ADRB2BRD4 | |
| Iodide SCHEMBL98677 | 0.89 | CHRM3 (0.42) | CHRM3ADRB2NPC1RAB9A | |
| Iodide SCHEMBL663121 | 0.89 | CHRM3 (0.44) | CHRM3ADRB2NPC1RAB9A | |
| Iodide SCHEMBL101324 | 0.89 | CHRM3 (0.42) | CHRM3ADRB2 | |
| SCHEMBL98686 | 0.88 | CHRM3 (0.44) | CHRM3ADRB2NPC1RAB9A | |
| Iodide SCHEMBL663553 | 0.88 | RORC (0.40) | CHRM3ADRB2NPC1RAB9A | |
| Iodide SCHEMBL100345 | 0.87 | CHRM3 (0.39) | CHRM3ADRB2NPC1RAB9A |
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-2426121-A1 | QUATERNARY AMMONIUM SALT COMPOUND | Teijin Pharma Limited (JP) | 2012-03-07 | — | — | EP | claimed |
| US-20120046467-A1 | QUATERNARY AMMONIUM SALT COMPOUNDS | TEIJIN PHARMA LIMITED (JP) | 2012-02-23 | — | — | US | claimed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 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-20120046467-A1 | QUATERNARY AMMONIUM SALT COMPOUNDS | ADRB2, AGTR2, ADRB3 | CHRM3 9/4885ADRB2 1/4885NPC1 2774/4885 |
“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.