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 | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | GMNN | O75496 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
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 SCHEMBL9630733 | 1.00 | CES2 (0.50) | CES2MAPK1CYP1A2TP53TSHR | |
| SCHEMBL200399 | 0.98 | CES2 (0.52) | CES2MAPK1CYP1A2TP53TSHR | |
| SCHEMBL200766 | 0.98 | CES2 (0.52) | CES2MAPK1CYP1A2TP53TSHR | |
| SCHEMBL198090 | 0.98 | CES2 (0.52) | CES2MAPK1CYP1A2TP53TSHR | |
| SCHEMBL5317333 | 0.98 | CES2 (0.52) | CES2MAPK1CYP1A2TP53TSHR | |
| SCHEMBL5319042 | 0.98 | CES2 (0.52) | CES2MAPK1CYP1A2TP53TSHR | |
| SCHEMBL9632303 | 0.98 | CES2 (0.52) | CES2MAPK1CYP1A2TP53TSHR | |
| Hydrochloric Acid SCHEMBL16990768 | 0.96 | CES2 (0.50) | CES2MAPK1CYP1A2TP53TSHR | |
| Hydrochloric Acid SCHEMBL9632302 | 0.96 | CES2 (0.50) | CES2MAPK1CYP1A2TP53TSHR | |
| Hydrochloric Acid SCHEMBL7561213 | 0.96 | CES2 (0.50) | CES2MAPK1CYP1A2TP53TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0206947-B1 | PHARMACEUTICAL COMPOSITION CONTAINING CHOLINE ESTER SALTS FOR ENHANCING GASTROINTESTINAL TRACT ABSORPTION | MERCK & CO. INC. (US) | 1992-04-15 | — | — | EP | disclosed |