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 | |
|---|---|---|---|---|
| ▸ | PRKD3 | O94806 | 3/20 | 0.51 |
| ▸ | PRKCG | P05129 | 3/20 | 0.51 |
| ▸ | PRKCB | P05771 | 3/20 | 0.51 |
| ▸ | PRKCA | P17252 | 3/20 | 0.51 |
| ▸ | PRKCH | P24723 | 3/20 | 0.51 |
| ▸ | PRKCI | P41743 | 3/20 | 0.51 |
| ▸ | PRKCE | Q02156 | 3/20 | 0.51 |
| ▸ | PRKCQ | Q04759 | 3/20 | 0.51 |
| ▸ | PRKCZ | Q05513 | 3/20 | 0.51 |
| ▸ | PRKCD | Q05655 | 3/20 | 0.51 |
| ▸ | PRKD1 | Q15139 | 3/20 | 0.51 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | THRA | P10827 | 2/20 | 0.32 |
| ▸ | THRB | P10828 | 2/20 | 0.32 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.31 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.31 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
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 SCHEMBL10378559 | 0.88 | PRKD3 (0.48) | PRKD3PRKCGPRKCBPRKCAPRKCH | |
| Iodide SCHEMBL10379914 | 0.83 | PRKCA (0.37) | PRKD3PRKCGPRKCBPRKCAPRKCH | |
| SCHEMBL10378906 | 0.78 | KDM4E (0.38) | PRKD3PRKCGPRKCBPRKCAPRKCH | |
| Iodide SCHEMBL8914421 | 0.75 | HRH3 (0.46) | LTA4HGNAI3GNAO1GNAI1KDM4E | |
| Iodide SCHEMBL8913693 | 0.75 | HRH3 (0.46) | LTA4HGNAI3GNAO1GNAI1KDM4E | |
| Iodide SCHEMBL8913931 | 0.75 | HRH3 (0.52) | LTA4HGNAI3GNAO1GNAI1KDM4E | |
| SCHEMBL8715077 | 0.73 | LTA4H (0.45) | LTA4HTHRATHRBGNAI3GNAO1 | |
| SCHEMBL8994081 | 0.73 | PRKD3 (0.69) | PRKD3PRKCGPRKCBPRKCAPRKCH | |
| Iodide SCHEMBL10378558 | 0.73 | HRH2 (0.36) | PRKD3PRKCGPRKCBPRKCAPRKCH | |
| Iodide SCHEMBL8912791 | 0.72 | PRKD3 (0.48) | PRKD3PRKCGPRKCBPRKCAPRKCH |
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 |
|---|---|---|---|---|---|---|---|
| WO-1990004918-A2 | QUATERNARY AMINE CONTAINING ETHER OR ESTER LIPID DERIVATIVES AND THERAPEUTIC COMPOSITIONS | WAKE FOREST UNIVERSITY (US) | 1990-05-17 | — | — | WO | disclosed |