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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGKA | P23743 | 1/20 | 0.65 |
| ▸ | DNM1 | Q05193 | 5/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | RAD52 | P43351 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.51 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.51 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.51 |
| ▸ | PAM | P19021 | 2/20 | 0.50 |
| ▸ | NAAA | Q02083 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | HTR2C | P28335 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 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 SCHEMBL4197212 | 1.00 | DGKA (0.65) | DGKADNM1MAPTRAD52NPSR1 | |
| Iodide SCHEMBL4199026 | 1.00 | DGKA (0.65) | DGKADNM1MAPTRAD52NPSR1 | |
| SCHEMBL4200750 | 0.98 | DGKA (0.67) | DGKADNM1MAPTRAD52NPSR1 | |
| SCHEMBL4191351 | 0.98 | DGKA (0.67) | DGKADNM1MAPTRAD52NPSR1 | |
| SCHEMBL4201697 | 0.98 | DGKA (0.67) | DGKADNM1MAPTRAD52NPSR1 | |
| Iodide SCHEMBL4201688 | 0.97 | DGKA (0.65) | DGKADNM1MAPTRAD52NPSR1 | |
| Bromide SCHEMBL11577762 | 0.97 | DGKA (0.65) | DGKADNM1MAPTRAD52NPSR1 | |
| Iodide SCHEMBL4193878 | 0.95 | DGKA (0.62) | DGKADNM1MAPTRAD52NPSR1 | |
| SCHEMBL4189332 | 0.95 | DGKA (0.67) | DGKADNM1MAPTRAD52NPSR1 | |
| SCHEMBL4200732 | 0.93 | DGKA (0.65) | DGKADNM1MAPTRAD52NPSR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1587553-B1 | QUATERNARY AMMONIUM ESTERS FOR DISINFECTION AND PRESERVATION | BAUSCH & LOMB (US) | 2009-03-11 | — | — | EP | claimed |
| US-20040115160-A1 | Quaternary ammonium esters for disinfection and preservation | BAUSCH & LOMB INCORPORATED | 2004-06-17 | — | — | US | claimed |
| EP-1587553-B1 | QUATERNARY AMMONIUM ESTERS FOR DISINFECTION AND PRESERVATION | BAUSCH & LOMB (US) | 2009-03-11 | — | — | EP | disclosed |