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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GNAO1 | P09471 | 9/20 | 0.53 |
| ▸ | GNAI3 | P08754 | 8/20 | 0.53 |
| ▸ | GNAI1 | P63096 | 8/20 | 0.53 |
| ▸ | HRH2 | P25021 | 1/20 | 0.48 |
| ▸ | HRH1 | P35367 | 1/20 | 0.48 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.44 |
| ▸ | SOD3 | P08294 | 2/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 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 SCHEMBL8913893 | 0.97 | GNAO1 (0.57) | GNAO1GNAI3GNAI1HRH2HRH1 | |
| SCHEMBL26940881 | 0.95 | GNAO1 (0.50) | GNAO1GNAI3GNAI1HRH2HRH1 | |
| SCHEMBL23471205 | 0.95 | GNAO1 (0.54) | GNAO1GNAI3GNAI1HRH2HRH1 | |
| SCHEMBL20332759 | 0.95 | GNAO1 (0.54) | GNAO1GNAI3GNAI1HRH2HRH1 | |
| SCHEMBL19634497 | 0.95 | GNAO1 (0.54) | GNAO1GNAI3GNAI1HRH2HRH1 | |
| Bromide SCHEMBL8520315 | 0.93 | GNAO1 (0.53) | GNAO1GNAI3GNAI1HRH2HRH1 | |
| SCHEMBL19634573 | 0.93 | GNAO1 (0.51) | GNAO1GNAI3GNAI1HRH2HRH1 | |
| SCHEMBL7043670 | 0.89 | HRH2 (0.50) | GNAO1GNAI3GNAI1HRH2HRH1 | |
| SCHEMBL8026348 | 0.87 | GNAO1 (0.49) | GNAO1GNAI3GNAI1HRH2HRH1 | |
| SCHEMBL21348420 | 0.87 | CXCR4 (0.46) | GNAO1GNAI3GNAI1HRH2HRH1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5614548-A | TREATING TUMORS AND HIV INFECTION, PROTEIN KINASE C INHIBITORS | WAKE FOREST UNIVERSITY (US) | 1997-03-25 | — | — | US | disclosed |
| WO-1990004918-A2 | QUATERNARY AMINE CONTAINING ETHER OR ESTER LIPID DERIVATIVES AND THERAPEUTIC COMPOSITIONS | WAKE FOREST UNIVERSITY (US) | 1990-05-17 | — | — | WO | disclosed |