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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 5/20 | 0.69 |
| ▸ | MAPT | P10636 | 5/20 | 0.63 |
| ▸ | TP53 | P04637 | 3/20 | 0.63 |
| ▸ | LMNA | P02545 | 1/20 | 0.63 |
| ▸ | CCR5 | P51681 | 9/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL2692635 | 0.99 | CCR2 (0.70) | CCR2MAPTTP53LMNACCR5 | |
| Hydrochloric Acid SCHEMBL2903301 | 0.98 | CCR2 (0.69) | CCR2MAPTTP53LMNACCR5 | |
| Iodide SCHEMBL17555185 | 0.90 | CCR2 (0.85) | CCR2CCR5 | |
| SCHEMBL4456644 | 0.89 | CCR2 (0.87) | CCR2CCR5 | |
| Hydrochloric Acid SCHEMBL2696183 | 0.88 | CCR2 (0.85) | CCR2CCR5 | |
| SCHEMBL13148343 | 0.82 | CCR5 (0.62) | CCR2CCR5 | |
| Hydrochloric Acid SCHEMBL313749 | 0.82 | CCR5 (0.63) | CCR2CCR5 | |
| Iodide SCHEMBL17555182 | 0.81 | CCR2 (0.72) | CCR2MAPTTP53LMNACCR5 | |
| SCHEMBL13148273 | 0.80 | CCR2 (0.73) | CCR2MAPTTP53LMNACCR5 | |
| Iodide SCHEMBL17555098 | 0.80 | CCR2 (0.51) | CCR2MAPTTP53CCR5MEN1 |
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 |