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 | |
|---|---|---|---|---|
| ▸ | S1PR2 | O95136 | 1/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.43 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.43 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.41 |
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 SCHEMBL9308456 | 1.00 | S1PR2 (0.43) | S1PR2S1PR1S1PR3LPAR2ALDH1A1 | |
| Iodide SCHEMBL9309255 | 0.96 | ALDH1A1 (0.46) | S1PR2S1PR1S1PR3LPAR2ALDH1A1 | |
| Iodide SCHEMBL9306713 | 0.96 | ALDH1A1 (0.46) | S1PR2S1PR1S1PR3LPAR2ALDH1A1 | |
| Iodide SCHEMBL9307567 | 0.94 | CNR2 (0.45) | S1PR2S1PR1S1PR3LPAR2ALDH1A1 | |
| Iodide SCHEMBL9307947 | 0.94 | CNR2 (0.45) | S1PR2S1PR1S1PR3LPAR2ALDH1A1 | |
| Iodide SCHEMBL9307824 | 0.92 | S1PR2 (0.44) | S1PR2S1PR1S1PR3LPAR2ALDH1A1 | |
| Iodide SCHEMBL9305744 | 0.92 | S1PR2 (0.44) | S1PR2S1PR1S1PR3LPAR2ALDH1A1 | |
| Iodide SCHEMBL9307667 | 0.91 | ALDH1A1 (0.46) | S1PR2S1PR1S1PR3LPAR2ALDH1A1 | |
| Iodide SCHEMBL9307953 | 0.91 | ALDH1A1 (0.46) | S1PR2S1PR1S1PR3LPAR2ALDH1A1 | |
| Iodide SCHEMBL9307199 | 0.90 | MTNR1A (0.42) | S1PR2S1PR1S1PR3LPAR2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5328921-A | Antagonist of platelet activating factor | AMERICAN CYANAMID COMPANY (US) | 1994-07-12 | — | — | US | disclosed |