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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BBOX1 | O75936 | 2/20 | 0.43 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.43 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.43 |
| ▸ | TACR3 | P29371 | 6/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
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 SCHEMBL22345583 | 1.00 | BBOX1 (0.43) | BBOX1EGLN1FTOTACR3SMN1; SMN2 | |
| SCHEMBL22345593 | 0.99 | BBOX1 (0.44) | BBOX1EGLN1FTOTACR3SMN1; SMN2 | |
| SCHEMBL22345591 | 0.99 | BBOX1 (0.44) | BBOX1EGLN1FTOTACR3SMN1; SMN2 | |
| Iodide SCHEMBL22345354 | 0.97 | BBOX1 (0.43) | BBOX1EGLN1FTOTACR3SMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL28621807 | 0.90 | BBOX1 (0.41) | BBOX1EGLN1FTOTACR3SMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL29564265 | 0.90 | BBOX1 (0.41) | BBOX1EGLN1FTOTACR3SMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL28621808 | 0.90 | BBOX1 (0.41) | BBOX1EGLN1FTOTACR3SMN1; SMN2 | |
| Iodide SCHEMBL28632522 | 0.81 | ALDH1A1 (0.42) | TACR3KMT2AMEN1KDM4EALDH1A1 | |
| Iodide SCHEMBL28632523 | 0.81 | ALDH1A1 (0.42) | TACR3KMT2AMEN1KDM4EALDH1A1 | |
| Iodide SCHEMBL29564118 | 0.81 | ALDH1A1 (0.42) | TACR3KMT2AMEN1KDM4EALDH1A1 |
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-3924344-A1 | CINNOLINIUM COMPOUNDS FOR USE IN A METHOD OF CONTROLLING UNWANTED PLANT GROWTH | Syngenta Crop Protection AG (CH) | 2021-12-22 | — | — | EP | disclosed |
| WO-2020164970-A1 | CINNOLINIUM COMPOUNDS FOR USE IN A METHOD OF CONTROLLING UNWANTED PLANT GROWTH | SYNGENTA CROP PROTECTION AG (CH) | 2020-08-20 | — | — | WO | disclosed |