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 | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | RAD52 | P43351 | 1/20 | 0.50 |
| ▸ | APAF1 | O14727 | 1/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | XBP1 | P17861 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10307406 | 0.98 | HSP90AA1 (0.51) | HSP90AA1LMNANPSR1ALDH1A1SMN1; SMN2 | |
| Iodide SCHEMBL1789963 | 0.90 | HSP90AA1 (0.58) | HSP90AA1LMNANPSR1ALDH1A1SMN1; SMN2 | |
| SCHEMBL10307404 | 0.88 | HSP90AA1 (0.59) | HSP90AA1LMNANPSR1ALDH1A1SMN1; SMN2 | |
| Iodide SCHEMBL1788625 | 0.87 | HSP90AA1 (0.67) | HSP90AA1LMNANPSR1ALDH1A1SMN1; SMN2 | |
| Iodide SCHEMBL1787088 | 0.87 | HSP90AA1 (0.67) | HSP90AA1LMNANPSR1ALDH1A1SMN1; SMN2 | |
| Bromide SCHEMBL17906580 | 0.87 | HSP90AA1 (0.62) | HSP90AA1LMNANPSR1ALDH1A1SMN1; SMN2 | |
| Iodide SCHEMBL1789272 | 0.86 | KMT2A (0.52) | HSP90AA1LMNANPSR1ALDH1A1SMN1; SMN2 | |
| SCHEMBL31023557 | 0.85 | HSP90AA1 (0.68) | HSP90AA1LMNANPSR1ALDH1A1SMN1; SMN2 | |
| SCHEMBL14387168 | 0.85 | HSP90AA1 (0.68) | HSP90AA1LMNANPSR1ALDH1A1SMN1; SMN2 | |
| Water SCHEMBL9000149 | 0.84 | HSP90AA1 (0.67) | HSP90AA1LMNANPSR1ALDH1A1SMN1; 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 |
|---|---|---|---|---|---|---|---|
| WO-2007132179-A2 | THERAPEUTICS COMPRISING PYRIDINIUM DERIVATIVES | UNIVERSITY OF BATH (GB) | 2007-11-22 | — | — | WO | disclosed |
| US-20070105810-A1 | THERAPEUTICS | POTTER BARRY V L | 2007-05-10 | — | — | US | disclosed |
| EP-1689714-A2 | THERAPEUTIC USE OF PYRIDINIUM COMPOUNDS TO MODULATE NAADP ACTIVITY | UNIVERSITY OF BATH (GB) | 2006-08-16 | — | — | EP | disclosed |
| WO-2005054198-A2 | THERAPEUTICS USE OF PYRIDINIUM COMPOUNDS TO MODULATE NAADP ACTIVITY | UNIVERSITY OF BATH (GB) | 2005-06-16 | — | — | 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-20070105810-A1 | THERAPEUTICS | RYR1, ATP2A1, CACNA1E | HSP90AA1 3482/4885LMNA 4580/4885NPSR1 322/4885 |
“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.