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 | 11/20 | 0.54 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.51 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.51 |
| ▸ | LTK | P29376 | 1/20 | 0.51 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.51 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.51 |
| ▸ | CDK8 | P49336 | 1/20 | 0.51 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.51 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.51 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.51 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.51 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.51 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | TYMS | P04818 | 1/20 | 0.42 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.41 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL17204947 | 0.98 | CHEK1 (0.53) | ADORA1CHEK1DAPK3LTKMAPK8 | |
| SCHEMBL13944519 | 0.77 | POLB (0.38) | ADORA1KDM4EALDH1A1LMNAGAA | |
| Iodide SCHEMBL4959469 | 0.70 | ADORA1 (1.00) | ADORA1CHEK1DAPK3LTKMAPK8 | |
| Hydrochloric Acid SCHEMBL9049400 | 0.70 | KDM4E (0.35) | KDM4E | |
| SCHEMBL9096377 | 0.69 | TYMS (0.32) | ALDH1A1TYMS | |
| Iodide SCHEMBL4957487 | 0.69 | ADORA1 (1.00) | ADORA1CHEK1DAPK3LTKMAPK8 | |
| Iodide SCHEMBL3994859 | 0.69 | ADORA1 (0.59) | ADORA1CHEK1DAPK3LTKMAPK8 | |
| SCHEMBL31321386 | 0.68 | CHEK1 (1.00) | ADORA1CHEK1DAPK3LTKMAPK8 | |
| SCHEMBL4959991 | 0.68 | CHEK1 (1.00) | ADORA1CHEK1DAPK3LTKMAPK8 | |
| SCHEMBL30112804 | 0.68 | NOTUM (0.44) | KDM4EALDH1A1TYMSNOS3NOS1 |
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 5 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 |
| EP-1583530-A4 | 2-AMINOTHIAZOLE ALLOSTERIC ENHANCERS OF A1-ADENOSINE RECEPTORS | UNIV VIRGINIA (US) | 2008-07-23 | — | — | EP | disclosed |
| EP-1583530-A1 | 2-AMINOTHIAZOLE ALLOSTERIC ENHANCERS OF A1-ADENOSINE RECEPTORS | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2005-10-12 | — | — | EP | 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 |
| WO-2003061655-A1 | 2-AMINOTHIAZOLE ALLOSTERIC ENHANCERS OF A1 ADENOSINE RECEPTORS | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2003-07-31 | — | — | 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 (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.