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 | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | S100A4 | P26447 | 1/20 | 0.33 |
| ▸ | CDC25B | P30305 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | TDP2 | O95551 | 1/20 | 0.32 |
| ▸ | NSD2 | O96028 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.32 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.31 |
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 SCHEMBL3908355 | 1.00 | CA12 (0.41) | CA12CA1CA2CA9S100A4 | |
| SCHEMBL1648800 | 0.98 | CA12 (0.42) | CA12CA1CA2CA9S100A4 | |
| SCHEMBL1648797 | 0.98 | CA12 (0.42) | CA12CA1CA2CA9S100A4 | |
| SCHEMBL27847095 | 0.95 | CA12 (0.41) | CA12CA1CA2CA9S100A4 | |
| SCHEMBL3261185 | 0.80 | — | — | |
| SCHEMBL4866082 | 0.79 | — | — | |
| SCHEMBL7056574 | 0.73 | CDC25B (0.41) | CA12CA1CA2CA9S100A4 | |
| SCHEMBL21319387 | 0.73 | CDC25B (0.41) | CA12CA1CA2CA9S100A4 | |
| SCHEMBL7056579 | 0.73 | CDC25B (0.41) | CA12CA1CA2CA9S100A4 | |
| SCHEMBL23330240 | 0.71 | CA12 (0.44) | CA12CA1CA2CA9S100A4 |
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-7531008-B2 | Use of at least one cationic cyanin derivative for dyeing the hair, composition containing it, process for treating keratin fibers using the composition, and device therefor | L'OREAL S.A. (FR) | 2009-05-12 | — | — | US | disclosed |
| US-20070143936-A1 | Use of at least one cationic cyanin derivative for dyeing the hair, composition containing it, process for treating keratin fibers using the composition, and device therefor | L'OREAL S.A. (FR) | 2007-06-28 | — | — | 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-20070143936-A1 | Use of at least one cationic cyanin derivative for dyeing the hair, composition containing it, process for treating keratin fibers using the composition, and device therefor | KRT18, HKDC1, DSC1 | CA12 856/4885CA1 2391/4885CA2 1608/4885 |
“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.