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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 17/20 | 0.73 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.55 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.55 |
| ▸ | LTK | P29376 | 1/20 | 0.55 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.55 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.55 |
| ▸ | CDK8 | P49336 | 1/20 | 0.55 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.55 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.55 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.55 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.55 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.55 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.55 |
| ▸ | FBP1 | P09467 | 2/20 | 0.55 |
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 SCHEMBL3994600 | 0.84 | ADORA1 (1.00) | ADORA1CHEK1DAPK3LTKMAPK8 | |
| SCHEMBL6190822 | 0.81 | ADORA1 (0.49) | ADORA1CHEK1DAPK3LTKMAPK8 | |
| Iodide SCHEMBL3989936 | 0.81 | ADORA1 (0.83) | ADORA1CHEK1DAPK3LTKMAPK8 | |
| Iodide SCHEMBL3990222 | 0.80 | ADORA1 (0.70) | ADORA1CHEK1DAPK3LTKMAPK8 | |
| Bromide SCHEMBL7903347 | 0.80 | ADORA1 (0.48) | ADORA1CHEK1DAPK3LTKMAPK8 | |
| SCHEMBL31390879 | 0.76 | ADORA1 (0.67) | ADORA1CHEK1DAPK3LTKMAPK8 | |
| SCHEMBL30953664 | 0.76 | ADORA1 (0.67) | ADORA1CHEK1DAPK3LTKMAPK8 | |
| Iodide SCHEMBL3988405 | 0.76 | ADORA1 (0.61) | ADORA1CHEK1DAPK3LTKMAPK8 | |
| Iodide SCHEMBL4960121 | 0.75 | ADORA1 (0.69) | ADORA1CHEK1DAPK3LTKMAPK8 | |
| Iodide SCHEMBL3989408 | 0.75 | ADORA1 (0.64) | ADORA1CHEK1DAPK3LTKMAPK8 |
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 |
|---|---|---|---|---|---|---|---|
| US-7485655-B2 | 2-Aminothiazole allosteric enhancers of A1 adenosine receptors | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2009-02-03 | — | — | US | disclosed |
| US-20050027125-A1 | 2-Aminothiazole allosteric enhancers of a ?1? adenosine receptors | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2005-02-03 | — | — | US | 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-20050027125-A1 | 2-Aminothiazole allosteric enhancers of a ?1? adenosine receptors | ADORA1, ADORA2A, ADORA2B | ADORA1 1/4885CHEK1 4517/4885DAPK3 2665/4885 |
“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.