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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 5/20 | 0.53 |
| ▸ | DRD2 | P14416 | 1/20 | 0.49 |
| ▸ | DRD1 | P21728 | 1/20 | 0.49 |
| ▸ | DRD4 | P21917 | 1/20 | 0.49 |
| ▸ | DRD5 | P21918 | 1/20 | 0.49 |
| ▸ | DRD3 | P35462 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 5/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.43 |
| ▸ | RCOR1 | Q9UKL0 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | KMO | O15229 | 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 | |
|---|---|---|---|---|
| SCHEMBL957833 | 0.98 | KDM1A (0.55) | KDM1ADRD2DRD1DRD4DRD5 | |
| SCHEMBL29427010 | 0.98 | KDM1A (0.55) | KDM1ADRD2DRD1DRD4DRD5 | |
| SCHEMBL30169622 | 0.89 | DRD2 (0.55) | KDM1ADRD2DRD1DRD4DRD5 | |
| SCHEMBL30919606 | 0.89 | DRD2 (0.55) | KDM1ADRD2DRD1DRD4DRD5 | |
| SCHEMBL3976082 | 0.89 | DRD2 (0.55) | KDM1ADRD2DRD1DRD4DRD5 | |
| SCHEMBL8414747 | 0.89 | DRD2 (0.55) | KDM1ADRD2DRD1DRD4DRD5 | |
| Bicarbonate SCHEMBL1719108 | 0.88 | HDAC4 (0.54) | KDM1ADRD2DRD1DRD4DRD5 | |
| SCHEMBL11837847 | 0.88 | KDM1A (0.47) | KDM1ADRD2DRD1DRD4DRD5 | |
| SCHEMBL5149459 | 0.87 | DRD2 (0.54) | KDM1ADRD2DRD1DRD4DRD5 | |
| SCHEMBL31518368 | 0.87 | DRD2 (0.54) | KDM1ADRD2DRD1DRD4DRD5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1758870-A1 | 4-PHENYL-PYRIMIDINE-2-CARBONITRILE DERIVATIVES | N.V. Organon (NL) | 2007-03-07 | — | — | EP | disclosed |
| WO-2005121106-A1 | 4-PHENYL-PYRIMIDINE-2-CARBONITRILE DERIVATIVES | N.V. ORGANON (NL) | 2005-12-22 | — | — | WO | disclosed |