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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 9/20 | 0.53 |
| ▸ | CCR5 | P51681 | 10/20 | 0.45 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.43 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13148338 | 0.99 | CCR2 (0.53) | CCR2CCR5CXCR5CXCR3 | |
| Hydrochloric Acid SCHEMBL2902553 | 0.98 | CCR2 (0.53) | CCR2CCR5CXCR5CXCR3 | |
| Iodide SCHEMBL17555094 | 0.92 | CCR2 (0.63) | CCR2CCR5CXCR5CXCR3 | |
| Iodide SCHEMBL17555149 | 0.92 | CCR5 (0.54) | CCR2CCR5CXCR5CXCR3 | |
| SCHEMBL13148336 | 0.91 | CCR2 (0.64) | CCR2CCR5CXCR5CXCR3 | |
| SCHEMBL13148339 | 0.91 | CCR5 (0.53) | CCR2CCR5CXCR5CXCR3 | |
| Hydrochloric Acid SCHEMBL313873 | 0.91 | CCR2 (0.63) | CCR2CCR5CXCR5CXCR3 | |
| Hydrochloric Acid SCHEMBL313568 | 0.90 | CCR5 (0.53) | CCR2CCR5CXCR5CXCR3 | |
| Iodide SCHEMBL17555123 | 0.84 | CCR2 (0.54) | CCR2CCR5 | |
| SCHEMBL13148315 | 0.83 | CCR2 (0.55) | CCR2CCR5CXCR5CXCR3 |
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 3 patents. 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 |
| EP-1765803-A1 | QUATERNARY SALT CCR2 ANTAGONISTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-03-28 | — | — | EP | disclosed |
| WO-2006012135-A1 | QUATERNARY SALT CCR2 ANTAGONISTS | JANSSEN PHARMACEUTICA, N. V. (BE) | 2006-02-02 | — | — | WO | disclosed |