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 | |
|---|---|---|---|---|
| ▸ | TTR | P02766 | 1/20 | 0.46 |
| ▸ | ALB | P02768 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 4/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA6 | P23280 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.36 |
| ▸ | CA3 | P07451 | 1/20 | 0.36 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.35 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL98131 | 0.98 | TTR (0.48) | TTRALBALDH1A1KDM4EGAA | |
| SCHEMBL30144833 | 0.82 | ALDH1A1 (0.46) | TTRALBALDH1A1KDM4EGAA | |
| SCHEMBL18299704 | 0.82 | ALDH1A1 (0.46) | TTRALBALDH1A1KDM4EGAA | |
| SCHEMBL21687453 | 0.78 | TTR (0.52) | TTRALBALDH1A1CA2CA1 | |
| SCHEMBL352155 | 0.78 | ALDH1A1 (0.50) | ALDH1A1KDM4EGAACA2CA12 | |
| SCHEMBL11277214 | 0.78 | ALDH1A1 (0.50) | ALDH1A1KDM4EGAACA2CA12 | |
| SCHEMBL29443092 | 0.78 | ALDH1A1 (0.50) | ALDH1A1KDM4EGAACA2CA12 | |
| SCHEMBL1743125 | 0.77 | ALDH1A1 (0.42) | ALDH1A1KDM4EGAACA2CA1 | |
| SCHEMBL5503660 | 0.77 | TTR (0.43) | TTRALBALDH1A1KDM4EGAA | |
| SCHEMBL21277388 | 0.76 | ALDH1A1 (0.44) | ALDH1A1KDM4EGAACA2CA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2440550-A1 | INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES | Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) | 2012-04-18 | — | — | EP | disclosed |
| WO-2010142801-A1 | INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES | KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) | 2010-12-16 | — | — | WO | disclosed |