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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 14/20 | 0.66 |
| ▸ | CCR2 | P41597 | 7/20 | 0.64 |
| ▸ | CXCR3 | P49682 | 3/20 | 0.64 |
| ▸ | CCR7 | P32248 | 2/20 | 0.64 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL13148344 | 0.99 | CCR5 (0.65) | CCR5CCR2CXCR3CCR7CXCR5 | |
| Hydrochloric Acid SCHEMBL313839 | 0.98 | CCR5 (0.66) | CCR5CCR2CXCR3CCR7CXCR5 | |
| Iodide SCHEMBL17555091 | 0.92 | CCR5 (0.78) | CCR5CCR2CXCR3CCR7CXCR5 | |
| SCHEMBL2696178 | 0.91 | CCR5 (0.77) | CCR5CCR2CXCR3CCR7CXCR5 | |
| Hydrochloric Acid SCHEMBL2900185 | 0.90 | CCR5 (0.78) | CCR5CCR2CXCR3CCR7CXCR5 | |
| Iodide SCHEMBL17555100 | 0.87 | CCR5 (0.65) | CCR5CCR2CXCR3CCR7CXCR5 | |
| SCHEMBL13148347 | 0.86 | CXCR3 (0.66) | CCR5CCR2CXCR3CCR7CXCR5 | |
| SCHEMBL12926185 | 0.86 | CCR5 (0.86) | CCR5CCR2CXCR3CCR7CXCR5 | |
| Hydrochloric Acid SCHEMBL313754 | 0.85 | CXCR3 (0.67) | CCR5CCR2CXCR3CCR7CXCR5 | |
| Iodide SCHEMBL17555182 | 0.83 | CCR2 (0.72) | CCR5CCR2 |
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 |