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 | |
|---|---|---|---|---|
| ▸ | KDM4A | O75164 | 5/20 | 0.69 |
| ▸ | KDM2A | Q9Y2K7 | 5/20 | 0.69 |
| ▸ | MEN1 | O00255 | 8/20 | 0.66 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.66 |
| ▸ | MAPT | P10636 | 5/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.66 |
| ▸ | HTT | P42858 | 4/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.66 |
| ▸ | LMNA | P02545 | 3/20 | 0.66 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.66 |
| ▸ | THRB | P10828 | 2/20 | 0.66 |
| ▸ | ALPG | P10696 | 1/20 | 0.66 |
| ▸ | GFER | P55789 | 1/20 | 0.66 |
| ▸ | CASP1 | P29466 | 2/20 | 0.61 |
| ▸ | HBB | P68871 | 2/20 | 0.61 |
| ▸ | GAA | P10253 | 1/20 | 0.61 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.61 |
| ▸ | CASP7 | P55210 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 6/20 | 0.59 |
| ▸ | NPC1 | O15118 | 4/20 | 0.59 |
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 SCHEMBL7033849 | 1.00 | KDM4A (0.69) | KDM4AKDM2AMEN1KMT2AMAPT | |
| SCHEMBL9278791 | 0.98 | KDM4A (0.69) | KDM4AKDM2AMEN1KMT2AMAPT | |
| SCHEMBL13428287 | 0.98 | KDM4A (0.69) | KDM4AKDM2AMEN1KMT2AMAPT | |
| Perchlorate SCHEMBL11791274 | 0.92 | KDM4A (0.61) | KDM4AKDM2AMEN1KMT2AMAPT | |
| SCHEMBL141913 | 0.91 | APP (0.63) | KDM4AKDM2AMEN1KMT2AMAPT | |
| SCHEMBL141912 | 0.91 | APP (0.63) | KDM4AKDM2AMEN1KMT2AMAPT | |
| SCHEMBL14984144 | 0.87 | KDM4A (0.73) | KDM4AKDM2AMEN1KMT2AMAPT | |
| Iodide SCHEMBL7031285 | 0.86 | KDM4A (0.54) | KDM4AKDM2AMEN1KMT2AMAPT | |
| Iodide SCHEMBL7031281 | 0.86 | KDM4A (0.54) | KDM4AKDM2AMEN1KMT2AMAPT | |
| Perchlorate SCHEMBL1405557 | 0.85 | KMT2A (0.57) | KDM4AKDM2AMEN1KMT2AMAPT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030022105-A1 | TWO -PHOTON UPCONVERTING DYES AND APPLICATIONS | PRASAD PARAS N (US) | 2003-01-30 | — | — | US | disclosed |
| US-6402037-B1 | Two-photon upconverting dyes and applications | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK | 2002-06-11 | — | — | US | disclosed |
| WO-1997009043-A9 | TWO-PHOTON UPCONVERTING DYES AND APPLICATIONS | — | 1997-09-18 | — | — | WO | disclosed |
| US-4608379-A | TOPICAL ADMINISTERING | JOHN WYETH & BROTHER LIMITED (GB) | 1986-08-26 | — | — | US | disclosed |
| EP-0139440-A2 | Pyridinium compounds | JOHN WYETH & BROTHER LIMITED (GB) | 1985-05-02 | — | — | EP | disclosed |