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 | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.36 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.36 |
| ▸ | CCKBR | P32239 | 2/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | HTR5A | P47898 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 1/20 | 0.35 |
| ▸ | GABRP | O00591 | 1/20 | 0.35 |
| ▸ | GABRD | O14764 | 1/20 | 0.35 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.35 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.35 |
| ▸ | GABRE | P78334 | 1/20 | 0.35 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.35 |
| ▸ | GABRG1 | Q8N1C3 | 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL30847784 | 0.84 | S1PR1 (0.40) | CCKBRHTR1AALDH1A1MAPK1 | |
| SCHEMBL30847874 | 0.82 | S1PR1 (0.40) | HTR1AALDH1A1MAPK1 | |
| SCHEMBL10965989 | 0.82 | GABRA1 (0.33) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| Iodide SCHEMBL30847757 | 0.80 | NAT1 (0.37) | CCKBRBRD4ALDH1A1 | |
| SCHEMBL18731745 | 0.79 | AKT1 (0.44) | SLC6A3SLC6A2SLC6A4ALDH1A1 | |
| Iodide SCHEMBL30847814 | 0.78 | HSD11B1 (0.45) | HTR2ASLC6A3ADORA3HTR2CPTGS2 | |
| SCHEMBL30847707 | 0.78 | S1PR1 (0.43) | BRD4PTGS2 | |
| SCHEMBL30847887 | 0.78 | HSD11B1 (0.46) | ALDH1A1 | |
| SCHEMBL709501 | 0.76 | HTR1A (0.36) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL30847698 | 0.76 | HSD11B1 (0.46) | HTR2ASLC6A3ADORA3HTR2CPTGS2 |
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-117843568-A | Aralkyl substituted-1-methylquinoline quaternary ammonium salt derivative and preparation method and application thereof | 中国药科大学 | 2024-04-09 | — | — | CN | disclosed |