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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.38 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 3/20 | 0.34 |
| ▸ | HTR1D | P28221 | 2/20 | 0.33 |
| ▸ | HTR1B | P28222 | 2/20 | 0.33 |
| ▸ | HRH1 | P35367 | 7/20 | 0.33 |
| ▸ | HRH2 | P25021 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | MPO | P05164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12097276 | 0.82 | MPO (0.35) | GPR84MPO | |
| SCHEMBL28902375 | 0.81 | HRH3 (0.40) | HRH3GPR84HTR1A | |
| SCHEMBL12097192 | 0.79 | HRH3 (0.44) | HRH3GPR84HTR1A | |
| SCHEMBL3420561 | 0.77 | HRH4 (0.40) | HRH3HRH4GPR84HTR1AHTR1D | |
| SCHEMBL367948 | 0.77 | GPR84 (0.50) | GPR84HTR1AHTR1DHTR1B | |
| SCHEMBL17267204 | 0.72 | — | — | |
| SCHEMBL28306543 | 0.72 | MPO (0.34) | GPR84HTR1AHTR1DHTR1BMPO | |
| SCHEMBL4686292 | 0.70 | GPR84 (0.44) | GPR84HTR1AHTR1DHTR1B | |
| SCHEMBL3420701 | 0.69 | HRH3 (0.39) | HRH3HRH4GPR84MPO | |
| SCHEMBL20206944 | 0.68 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140186875-A1 | NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSIS | MONTANA STATE UNIVERSITY (US) | 2014-07-03 | — | — | US | disclosed |
| US-20100252433-A1 | NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSES | NATIONAL SCIENCE FOUNDATION | 2010-10-07 | — | — | US | disclosed |
| EP-2164997-A2 | NOVEL OPTICAL LABELING MOLECULES IN PROTEOMICS AND OTHER BIOLOGICAL ANALYSES | Montana State University (US) | 2010-03-24 | — | — | EP | disclosed |
| WO-2009005871-A2 | NOVEL OPTICAL LABELING MOLECULES IN PROTEOMICS AND OTHER BIOLOGICAL ANALYSES | MONTANA STATE UNIVERSITY (US) | 2009-01-08 | — | — | 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 (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-20100252433-A1 | NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSES | PTMS, CHAMP1, RAB5IF | HRH3 4674/4885HRH4 4661/4885GPR84 3862/4885 |
“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.