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 | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | PTAFR | P25105 | 1/20 | 0.35 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | AKT1 | P31749 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.32 |
| ▸ | RAB9A | P51151 | 3/20 | 0.32 |
| ▸ | NPC1 | O15118 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30847874 | 0.98 | S1PR1 (0.40) | S1PR1PTAFRNR1H3NR1H2AKT1 | |
| Iodide SCHEMBL30847673 | 0.84 | GABRA1 (0.36) | ALDH1A1HTR1AMAPK1CCKBR | |
| SCHEMBL18731745 | 0.75 | AKT1 (0.44) | AKT1HPGDHSD11B1ALDH1A1HTR3A | |
| SCHEMBL30847887 | 0.73 | HSD11B1 (0.46) | CES1HSD11B1MEN1KMT2AALDH1A1 | |
| SCHEMBL30847707 | 0.73 | S1PR1 (0.43) | S1PR1GAAMAPTMEN1KMT2A | |
| Iodide SCHEMBL30847814 | 0.73 | HSD11B1 (0.45) | NR1H3NR1H2CES1MAPTHSD11B1 | |
| SCHEMBL30847698 | 0.71 | HSD11B1 (0.46) | NR1H3NR1H2CES1MAPTHSD11B1 | |
| SCHEMBL18763972 | 0.70 | S1PR1 (0.38) | S1PR1PTAFRRAB9ANPC1MEN1 | |
| SCHEMBL30143246 | 0.70 | S1PR1 (0.38) | S1PR1PTAFRRAB9ANPC1MEN1 | |
| SCHEMBL30847680 | 0.70 | NR1H3 (0.36) | S1PR1PTAFRNR1H3NR1H2AKT1 |
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 |