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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.34 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.34 |
| ▸ | TGM2 | P21980 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28723020 | 0.98 | ALDH1A1 (0.47) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL19490 | 0.98 | ALDH1A1 (0.47) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL8153929 | 0.96 | ALDH1A1 (0.46) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL8149086 | 0.96 | ALDH1A1 (0.46) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL29015010 | 0.96 | ALDH1A1 (0.46) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| Water SCHEMBL10732835 | 0.96 | ALDH1A1 (0.46) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL12002785 | 0.96 | ALDH1A1 (0.46) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL121582 | 0.96 | ALDH1A1 (0.46) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL31091242 | 0.96 | ALDH1A1 (0.46) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| Ammonia Solution, Strong SCHEMBL29715082 | 0.96 | ALDH1A1 (0.46) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 |
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-6358665-B1 | ONIUM SALT PRECURSOR FOR GENERATING FLUOROALKYLSULFONATE | CLARIANT INTERNATIONAL LTD. (CH) | 2002-03-19 | — | — | US | disclosed |
| EP-1033624-A1 | RADIATION-SENSITIVE COMPOSITION OF CHEMICAL AMPLIFICATION TYPE | Clariant International Ltd. (CH) | 2000-09-06 | — | — | EP | disclosed |