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 | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 7/20 | 0.68 |
| ▸ | NPC1 | O15118 | 6/20 | 0.68 |
| ▸ | LTA4H | P09960 | 8/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.54 |
| ▸ | MAPT | P10636 | 4/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.54 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.54 |
| ▸ | RELA | Q04206 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | AR | P10275 | 1/20 | 0.50 |
| ▸ | GFER | P55789 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.46 |
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 SCHEMBL5459815 | 0.84 | RAB9A (0.97) | RAB9ANPC1LTA4HALDH1A1SMN1; SMN2 | |
| Iodide SCHEMBL5464284 | 0.84 | RAB9A (0.97) | RAB9ANPC1LTA4HALDH1A1SMN1; SMN2 | |
| Iodide SCHEMBL5460208 | 0.82 | RAB9A (0.87) | RAB9ANPC1LTA4HALDH1A1SMN1; SMN2 | |
| Iodide SCHEMBL5456843 | 0.82 | LTA4H (0.97) | RAB9ANPC1LTA4HALDH1A1SMN1; SMN2 | |
| SCHEMBL6256294 | 0.82 | RAB9A (1.00) | RAB9ANPC1LTA4HALDH1A1SMN1; SMN2 | |
| Iodide SCHEMBL5461687 | 0.80 | LTA4H (0.70) | RAB9ANPC1LTA4HALDH1A1SMN1; SMN2 | |
| Iodide SCHEMBL5451467 | 0.78 | LTA4H (0.71) | RAB9ANPC1LTA4HALDH1A1SMN1; SMN2 | |
| Iodide SCHEMBL5460253 | 0.76 | RAB9A (0.71) | RAB9ANPC1LTA4HALDH1A1SMN1; SMN2 | |
| Iodide SCHEMBL5455207 | 0.76 | RAB9A (0.90) | RAB9ANPC1LTA4HALDH1A1SMN1; SMN2 | |
| SCHEMBL4095582 | 0.74 | LTA4H (0.83) | RAB9ANPC1LTA4HALDH1A1SMN1; SMN2 |
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-20070082934-A1 | Substituted 4-aryloxy and 4-arylsulfanyl-phenyl-2-aminothiazoles as inhibitors of cell proliferation | UNIVERSITY OF VIRGINIA PATENT FOUNDATION | 2007-04-12 | — | — | US | claimed |
| WO-2005044263-A1 | SUBSTITUTED 4-ARYLOXY AND 4-ARYLSULFANYL-PHENYL-2-AMINOTHIAZOLES AS INHIBITORS OF CELL PROLIFERATION | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2005-05-19 | — | — | WO | claimed |
| US-20070082934-A1 | Substituted 4-aryloxy and 4-arylsulfanyl-phenyl-2-aminothiazoles as inhibitors of cell proliferation | UNIVERSITY OF VIRGINIA PATENT FOUNDATION | 2007-04-12 | — | — | US | disclosed |
| WO-2005044263-A1 | SUBSTITUTED 4-ARYLOXY AND 4-ARYLSULFANYL-PHENYL-2-AMINOTHIAZOLES AS INHIBITORS OF CELL PROLIFERATION | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2005-05-19 | — | — | 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-20070082934-A1 | Substituted 4-aryloxy and 4-arylsulfanyl-phenyl-2-aminothiazoles as inhibitors of cell proliferation | MKI67, CCNI, CDK4 | RAB9A 4530/4885NPC1 3129/4885LTA4H 463/4885 |
“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.