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 | 6/20 | 1.00 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.71 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.71 |
| ▸ | LTK | P29376 | 1/20 | 0.71 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.71 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.71 |
| ▸ | CDK8 | P49336 | 1/20 | 0.71 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.71 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.71 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.71 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.71 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.71 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.71 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | MPI | P34949 | 2/20 | 0.57 |
| ▸ | ATP4A | P20648 | 1/20 | 0.57 |
| ▸ | ATP4B | P51164 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL1745165 | 0.98 | ADORA1 (0.97) | ADORA1CHEK1DAPK3LTKMAPK8 | |
| SCHEMBL30953833 | 0.98 | ADORA1 (0.97) | ADORA1CHEK1DAPK3LTKMAPK8 | |
| Iodide SCHEMBL3989105 | 0.90 | ADORA1 (0.82) | ADORA1CHEK1DAPK3LTKMAPK8 | |
| SCHEMBL4288204 | 0.89 | ADORA1 (0.79) | ADORA1CHEK1DAPK3LTKMAPK8 | |
| SCHEMBL30953858 | 0.89 | ADORA1 (0.79) | ADORA1CHEK1DAPK3LTKMAPK8 | |
| Iodide SCHEMBL4959469 | 0.85 | ADORA1 (1.00) | ADORA1CHEK1DAPK3LTKMAPK8 | |
| SCHEMBL31321386 | 0.83 | CHEK1 (1.00) | ADORA1CHEK1DAPK3LTKMAPK8 | |
| SCHEMBL4959991 | 0.83 | CHEK1 (1.00) | ADORA1CHEK1DAPK3LTKMAPK8 | |
| Bromide SCHEMBL9004168 | 0.81 | CHEK1 (0.97) | ADORA1CHEK1DAPK3LTKMAPK8 | |
| SCHEMBL10076399 | 0.78 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7407977-B2 | Substituted N-acyl-2-aminothiazoles | HOFFMAN-LA ROCHE INC. (US) | 2008-08-05 | — | — | US | disclosed |
| EP-1791822-A1 | SUBSTITUTED N-ACYL-2-AMINOTHIAZOLES | F.HOFFMANN-LA ROCHE AG (CH) | 2007-06-06 | — | — | EP | disclosed |
| US-20060030589-A1 | Substituted N-acyl-2-aminothiazoles | HOFFMANN-LA ROCHE INC. | 2006-02-09 | — | — | US | disclosed |
| WO-2006013054-A1 | SUBSTITUTED N-ACYL-2-AMINOTHIAZOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2006-02-09 | — | — | 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-20060030589-A1 | Substituted N-acyl-2-aminothiazoles | SLC5A2, ABAT, AGTR2 | ADORA1 2692/4885CHEK1 4698/4885DAPK3 3951/4885 |
“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.