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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 6/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | RECQL | P46063 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 2/20 | 0.38 |
| ▸ | TACR3 | P29371 | 2/20 | 0.38 |
| ▸ | XBP1 | P17861 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
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 SCHEMBL28632522 | 1.00 | ALDH1A1 (0.42) | ALDH1A1NPSR1MAPTMEN1KMT2A | |
| Iodide SCHEMBL29564118 | 1.00 | ALDH1A1 (0.42) | ALDH1A1NPSR1MAPTMEN1KMT2A | |
| Iodide SCHEMBL22345354 | 0.83 | BBOX1 (0.43) | MEN1KMT2ATACR3KDM4E | |
| SCHEMBL28621806 | 0.83 | CNR2 (0.38) | ALDH1A1NPSR1MEN1KMT2ATACR3 | |
| SCHEMBL22345593 | 0.82 | BBOX1 (0.44) | ALDH1A1MEN1KMT2ATACR3KDM4E | |
| SCHEMBL22345591 | 0.82 | BBOX1 (0.44) | ALDH1A1MEN1KMT2ATACR3KDM4E | |
| Iodide SCHEMBL22345583 | 0.81 | BBOX1 (0.43) | ALDH1A1MEN1KMT2ATACR3KDM4E | |
| Iodide SCHEMBL22345356 | 0.81 | BBOX1 (0.43) | ALDH1A1MEN1KMT2ATACR3KDM4E | |
| Trifluoroacetic Acid SCHEMBL28621807 | 0.79 | BBOX1 (0.41) | MEN1KMT2ATACR3KDM4E | |
| Trifluoroacetic Acid SCHEMBL29564265 | 0.79 | BBOX1 (0.41) | MEN1KMT2ATACR3KDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113423694-A | Cinnolinium compounds for use in a method for controlling unwanted plant growth | 先正达农作物保护股份公司 | 2021-09-21 | — | — | CN | disclosed |