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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 3/20 | 0.49 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.35 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL988394 | 0.98 | CXCR4 (0.50) | CXCR4APOBEC3AAPOBEC3G | |
| SCHEMBL988717 | 0.91 | CXCR4 (0.44) | CXCR4 | |
| SCHEMBL989277 | 0.84 | CXCR4 (0.45) | CXCR4APOBEC3AAPOBEC3G | |
| Trifluoroacetic Acid SCHEMBL2419010 | 0.79 | HRH4 (0.40) | CXCR4 | |
| SCHEMBL12322123 | 0.74 | — | — | |
| SCHEMBL13024396 | 0.66 | — | — | |
| SCHEMBL14029055 | 0.63 | — | — | |
| SCHEMBL11133792 | 0.63 | CXCR4 (0.82) | CXCR4APOBEC3AAPOBEC3G | |
| SCHEMBL3541111 | 0.61 | — | — | |
| SCHEMBL8880798 | 0.61 | — | — |
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-8012985-B2 | parasiticides, in particularly against Plasmodium and babesia; antimalarial agents | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) | 2011-09-06 | — | — | US | disclosed |
| US-20050176819-A1 | Compounds with antiparasitic activity and medicines containing same | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N. (FR) | 2005-08-11 | — | — | 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-20050176819-A1 | Compounds with antiparasitic activity and medicines containing same | ACHE, MPO, PDF | CXCR4 3755/4885APOBEC3A 3110/4885APOBEC3G 2293/4885 |
“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.