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 | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 15/20 | 0.52 |
| ▸ | FBP1 | P09467 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | TDP2 | O95551 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.42 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.42 |
| ▸ | LTK | P29376 | 1/20 | 0.42 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.42 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.42 |
| ▸ | CDK8 | P49336 | 1/20 | 0.42 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.42 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.42 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL13944124 | 0.83 | MAPT (0.51) | ADORA1ALDH1A1NPC1TDP2MAPT | |
| Iodide SCHEMBL3986093 | 0.79 | ADORA1 (0.62) | ADORA1FBP1ALDH1A1NPC1TDP2 | |
| SCHEMBL13944123 | 0.78 | ADORA1 (0.61) | ADORA1FBP1ALDH1A1NPC1TDP2 | |
| SCHEMBL3989391 | 0.78 | ADORA1 (0.61) | ADORA1FBP1ALDH1A1NPC1TDP2 | |
| Iodide SCHEMBL3989389 | 0.78 | ADORA1 (0.65) | ADORA1FBP1ALDH1A1NPC1TDP2 | |
| Iodide SCHEMBL3994386 | 0.77 | ADORA1 (0.47) | ADORA1FBP1ALDH1A1POLBGAA | |
| Iodide SCHEMBL3994525 | 0.77 | ADORA1 (0.49) | ADORA1ALDH1A1NPC1TDP2MAPT | |
| Iodide SCHEMBL3989097 | 0.75 | ADORA1 (0.66) | ADORA1FBP1ALDH1A1SMN1; SMN2POLB | |
| SCHEMBL16769416 | 0.75 | CA1 (0.45) | ALDH1A1NPC1MAPTRAB9AHSD17B10 | |
| Iodide SCHEMBL3994910 | 0.72 | ADORA1 (0.69) | ADORA1FBP1CHEK1DAPK3LTK |
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 1/4885FBP1 851/4885ALDH1A1 512/4885 |
“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.