Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 14/20 | 0.50 |
| ▸ | JAK2 | O60674 | 1/20 | 0.49 |
| ▸ | TYK2 | P29597 | 1/20 | 0.49 |
| ▸ | JAK3 | P52333 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | MMP1 | P03956 | 1/20 | 0.47 |
| ▸ | MMP2 | P08253 | 1/20 | 0.47 |
| ▸ | MMP9 | P14780 | 1/20 | 0.47 |
| ▸ | MMP8 | P22894 | 1/20 | 0.47 |
| ▸ | MMP13 | P45452 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1498619 | 1.00 | CCR2 (0.50) | CCR2JAK2TYK2JAK3POLB | |
| SCHEMBL10476054 | 0.89 | CCR2 (0.52) | CCR2POLB | |
| SCHEMBL10476062 | 0.89 | CCR2 (0.52) | CCR2POLB | |
| SCHEMBL10476055 | 0.89 | CCR2 (0.52) | CCR2POLB | |
| SCHEMBL12692964 | 0.86 | JAK2 (0.52) | CCR2JAK2TYK2JAK3POLB | |
| SCHEMBL12542545 | 0.86 | RORC (0.51) | CCR2JAK2TYK2JAK3CYP3A4 | |
| SCHEMBL12542544 | 0.86 | RORC (0.51) | CCR2JAK2TYK2JAK3CYP3A4 | |
| SCHEMBL12832453 | 0.85 | JAK2 (0.53) | CCR2JAK2TYK2JAK3CA1 | |
| SCHEMBL12542631 | 0.83 | JAK2 (0.47) | CCR2JAK2TYK2JAK3RECQL | |
| SCHEMBL12542630 | 0.83 | JAK2 (0.47) | CCR2JAK2TYK2JAK3RECQL |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2477963-A1 | ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | Zalicus Pharmaceuticals Ltd. (CA) | 2012-07-25 | — | — | EP | disclosed |
| WO-2011035159-A1 | ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | ZALICUS PHARMACEUTICALS LTD. (CA) | 2011-03-24 | — | — | WO | disclosed |