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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYGL | P06737 | 15/20 | 0.56 |
| ▸ | NHERF1 | O14745 | 3/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CCR2 | P41597 | 1/20 | 0.44 |
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 SCHEMBL17555152 | 1.00 | PYGL (0.56) | PYGLNHERF1MEN1KMT2ARXFP1 | |
| SCHEMBL4461560 | 0.99 | PYGL (0.56) | PYGLNHERF1MEN1KMT2ARXFP1 | |
| SCHEMBL4461554 | 0.99 | PYGL (0.56) | PYGLNHERF1MEN1KMT2ARXFP1 | |
| Hydrochloric Acid SCHEMBL2696147 | 0.98 | PYGL (0.56) | PYGLNHERF1MEN1KMT2ARXFP1 | |
| Hydrochloric Acid SCHEMBL2696148 | 0.98 | PYGL (0.56) | PYGLNHERF1MEN1KMT2ARXFP1 | |
| Iodide SCHEMBL17555143 | 0.81 | CCR2 (0.68) | PYGLNHERF1MEN1KMT2ARXFP1 | |
| Iodide SCHEMBL17555109 | 0.81 | PYGL (0.55) | PYGLNHERF1MEN1KMT2ARXFP1 | |
| Iodide SCHEMBL3081990 | 0.81 | PYGL (0.61) | PYGLNHERF1MEN1KMT2ARXFP1 | |
| SCHEMBL13148361 | 0.80 | CCR2 (0.69) | PYGLNHERF1MEN1KMT2ARXFP1 | |
| SCHEMBL13148369 | 0.80 | PYGL (0.56) | PYGLNHERF1MEN1KMT2ARXFP1 |
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-1765803-B1 | QUATERNARY SALT CCR2 ANTAGONISTS | JANSSEN PHARMACEUTICA NV (BE) | 2016-03-09 | — | — | EP | disclosed |