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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 8/20 | 0.72 |
| ▸ | MEN1 | O00255 | 3/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.63 |
| ▸ | HTT | P42858 | 1/20 | 0.63 |
| ▸ | CCR5 | P51681 | 9/20 | 0.58 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL13148275 | 0.99 | CCR2 (0.73) | CCR2MEN1KMT2AHTTCCR5 | |
| Hydrochloric Acid SCHEMBL2905780 | 0.98 | CCR2 (0.72) | CCR2MEN1KMT2AHTTCCR5 | |
| Iodide SCHEMBL17555083 | 0.92 | CCR2 (0.85) | CCR2MEN1KMT2AHTTCCR5 | |
| Iodide SCHEMBL17555175 | 0.92 | CCR2 (0.72) | CCR2CCR5 | |
| SCHEMBL4452167 | 0.91 | CCR2 (0.87) | CCR2MEN1KMT2AHTTCCR5 | |
| Hydrochloric Acid SCHEMBL2696062 | 0.90 | CCR2 (0.85) | CCR2MEN1KMT2AHTTCCR5 | |
| SCHEMBL17571931 | 0.90 | CCR5 (0.70) | CCR2CCR5 | |
| Hydrochloric Acid SCHEMBL2903256 | 0.90 | CCR2 (0.72) | CCR2CCR5 | |
| Iodide SCHEMBL17555053 | 0.90 | CCR2 (0.62) | CCR2MEN1KMT2AHTTCCR5 | |
| Iodide SCHEMBL17555182 | 0.89 | CCR2 (0.72) | CCR2CCR5MAPTLMNA |
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 |