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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC25A | P30304 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.36 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.36 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 2/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | GMNN | O75496 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
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 SCHEMBL8913654 | 0.93 | CDC25A (0.47) | CDC25AHPGDALOX15CES2 | |
| Iodide SCHEMBL8913681 | 0.93 | CDC25A (0.47) | CDC25AHPGDALOX15CES2 | |
| Iodide SCHEMBL8913922 | 0.84 | LMNA (0.42) | GNAI3GNAO1GNAI1THRBCES2 | |
| SCHEMBL28355508 | 0.84 | CDC25A (0.55) | CDC25AHPGDALOX15GNAI3GNAO1 | |
| SCHEMBL13042277 | 0.84 | CDC25A (0.55) | CDC25AHPGDALOX15GNAI3GNAO1 | |
| SCHEMBL4752338 | 0.84 | CDC25A (0.55) | CDC25AHPGDALOX15GNAI3GNAO1 | |
| SCHEMBL4428238 | 0.84 | CDC25A (0.55) | CDC25AHPGDALOX15GNAI3GNAO1 | |
| SCHEMBL4065812 | 0.84 | CDC25A (0.55) | CDC25AHPGDALOX15GNAI3GNAO1 | |
| SCHEMBL17419072 | 0.84 | CDC25A (0.55) | CDC25AHPGDALOX15GNAI3GNAO1 | |
| SCHEMBL17418564 | 0.84 | CDC25A (0.55) | CDC25AHPGDALOX15GNAI3GNAO1 |
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 |