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 | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.46 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | PDE4A | P27815 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | MDH1 | P40925 | 1/20 | 0.41 |
| ▸ | MMP7 | P09237 | 1/20 | 0.41 |
| ▸ | MMP10 | P09238 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
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 SCHEMBL9166011 | 0.89 | MAPT (0.47) | KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2 | |
| SCHEMBL9625793 | 0.83 | CYP2D6 (0.52) | NLRP3P2RY14KDM4ENR1H4CYP1A2 | |
| Hydrochloric Acid SCHEMBL9625800 | 0.82 | CYP2D6 (0.51) | NLRP3P2RY14KDM4ENR1H4CYP1A2 | |
| Iodide SCHEMBL9169595 | 0.80 | NLRP3 (0.49) | NLRP3P2RY14KDM4ENR1H4CYP1A2 | |
| SCHEMBL9163716 | 0.76 | NLRP3 (0.58) | NLRP3P2RY14KDM4ENR1H4CYP1A2 | |
| SCHEMBL9163700 | 0.76 | NLRP3 (0.58) | NLRP3P2RY14KDM4ENR1H4CYP1A2 | |
| SCHEMBL9159927 | 0.75 | NLRP3 (0.57) | NLRP3P2RY14KDM4ENR1H4CYP1A2 | |
| Hydrochloric Acid SCHEMBL9164136 | 0.75 | P2RY14 (0.54) | NLRP3P2RY14KDM4ENR1H4CYP1A2 | |
| Hydrochloric Acid SCHEMBL9161430 | 0.75 | P2RY14 (0.54) | NLRP3P2RY14KDM4ENR1H4CYP1A2 | |
| SCHEMBL9165341 | 0.75 | KMT2A (0.64) | NLRP3P2RY14NR1H4CYP1A2CYP2D6 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5432189-A | Bis-aryl amide and urea antagonists of platelet activating factor | AMERICAN CYANAMID COMPANY (US) | 1995-07-11 | — | — | US | disclosed |
| US-5350759-A | Bis-aryl urea compounds | WISSNER ALLAN (US) | 1994-09-27 | — | — | US | disclosed |
| US-5231182-A | Platelet activating factor inhibitor | AMERICAN CYANAMID COMPANY (US) | 1993-07-27 | — | — | US | disclosed |
| US-5128351-A | BIS-ARYL AMIDE AND UREA ANTAGONISTS OF PLATELET ACTIVATING FACTOR | AMERICAN CYANAMID COMPANY (US) | 1992-07-07 | — | — | US | disclosed |
| EP-0458037-A1 | Bis-aryl amide and urea antagonists of platelet activating factor | AMERICAN CYANAMID COMPANY (US) | 1991-11-27 | — | — | EP | disclosed |