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 | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 8/20 | 0.45 |
| ▸ | MAPK13 | O15264 | 4/20 | 0.42 |
| ▸ | MAPK12 | P53778 | 4/20 | 0.42 |
| ▸ | MAPK11 | Q15759 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.40 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.40 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.40 |
| ▸ | GCGR | P47871 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6290039 | 0.99 | MAPK14 (0.46) | MAPK14MAPK13MAPK12MAPK11KDM4E | |
| SCHEMBL6290806 | 0.99 | MAPK14 (0.46) | MAPK14MAPK13MAPK12MAPK11KDM4E | |
| SCHEMBL6291348 | 0.95 | MAPK14 (0.45) | MAPK14MAPK13MAPK12MAPK11KDM4E | |
| Propionic Acid SCHEMBL27584692 | 0.87 | KMT2A (0.43) | MAPK14MAPK13MAPK12MAPK11GABRA1 | |
| Ethoxycarbonyl Group SCHEMBL27509846 | 0.84 | MAPK14 (0.38) | MAPK14MAPK13MAPK12MAPK11GABRA1 | |
| Ethoxycarbonyl Group SCHEMBL27511309 | 0.84 | MAPK14 (0.38) | MAPK14MAPK13MAPK12MAPK11GABRA1 | |
| SCHEMBL6810546 | 0.82 | KMT2A (0.40) | KDM4ETDP1TGFBR1KMT2A | |
| SCHEMBL6488220 | 0.81 | PTGS2 (0.46) | TGFBR1KMT2A | |
| SCHEMBL6485187 | 0.78 | PTGS2 (0.62) | — | |
| SCHEMBL6486655 | 0.78 | PTGS2 (0.52) | — |
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-1252163-B1 | 4-PYRIDYL-AND 2,4-PYRIMIDINYL-SUBSTITUTED PYRROLE DERIVATIVES AND THEIR USE IN PHARMACY | MERCKLE GMBH (DE) | 2003-09-24 | — | — | EP | disclosed |