Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR4 | P51679 | 3/20 | 0.46 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.39 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.38 |
| ▸ | F10 | P00742 | 2/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | KLK1 | P06870 | 1/20 | 0.37 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL185508 | 0.81 | CCR4 (0.60) | CCR4 | |
| SCHEMBL31487553 | 0.72 | PARP1 (0.53) | IDH1 | |
| SCHEMBL7771633 | 0.72 | PARP1 (0.53) | IDH1 | |
| Hydrochloric Acid SCHEMBL27543812 | 0.71 | PARP1 (0.52) | IDH1 | |
| SCHEMBL185970 | 0.70 | CCR4 (0.52) | CCR4 | |
| SCHEMBL185706 | 0.70 | CCR4 (0.49) | CCR4LMNA | |
| SCHEMBL27431 | 0.69 | CCR4 (0.47) | CCR4 | |
| SCHEMBL5194309 | 0.67 | SPHK2 (0.52) | IDH1 | |
| SCHEMBL45866 | 0.66 | PARP1 (0.57) | BRD4IDH1 | |
| SCHEMBL10669113 | 0.66 | SPHK2 (0.57) | — |
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-2401270-B1 | PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS | GLAXO GROUP LTD (GB) | 2013-10-16 | — | — | EP | disclosed |