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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | THRA | P10827 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | CNR2 | P34972 | 1/20 | 0.46 |
| ▸ | SMPD1 | P17405 | 5/20 | 0.45 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.45 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.45 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.45 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.45 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | PPARD | Q03181 | 1/20 | 0.42 |
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 SCHEMBL9306805 | 1.00 | POLB (0.51) | POLBTHRATHRBCNR2SMPD1 | |
| Iodide SCHEMBL9305581 | 0.93 | POLB (0.50) | POLBTHRATHRBCNR2SMPD1 | |
| Iodide SCHEMBL9307637 | 0.93 | POLB (0.50) | POLBTHRATHRBCNR2SMPD1 | |
| Iodide SCHEMBL9306396 | 0.91 | POLB (0.52) | POLBTHRATHRBCNR2SMPD1 | |
| Iodide SCHEMBL9306301 | 0.91 | POLB (0.52) | POLBTHRATHRBCNR2SMPD1 | |
| Iodide SCHEMBL9307524 | 0.89 | CNR2 (0.47) | THRACNR2SMPD1ALDH1A1LMNA | |
| Iodide SCHEMBL9306480 | 0.89 | SMPD1 (0.56) | CNR2SMPD1ALDH1A1 | |
| Iodide SCHEMBL9307357 | 0.89 | SMPD1 (0.56) | CNR2SMPD1ALDH1A1 | |
| Iodide SCHEMBL9307190 | 0.89 | CNR2 (0.47) | THRACNR2SMPD1ALDH1A1LMNA | |
| Iodide SCHEMBL9305242 | 0.89 | S1PR2 (0.52) | POLBTHRATHRBCNR2S1PR2 |
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 |