Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 2/20 | 0.38 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.38 |
| ▸ | PBK | Q96KB5 | 7/20 | 0.36 |
| ▸ | PDE2A | O00408 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 3/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | PAK4 | O96013 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3957784 | 0.94 | ADORA2B (0.35) | ADORA1TMIGD3PBKTSHR | |
| SCHEMBL1917418 | 0.80 | BRD4 (0.44) | ADORA1PBKALDH1A1POLBMAPT | |
| SCHEMBL12964001 | 0.79 | PBK (0.43) | ADORA1PBKPOLBRET | |
| SCHEMBL1917392 | 0.76 | ADORA3 (0.39) | PBKALDH1A1POLBMAPTHPGD | |
| SCHEMBL3148674 | 0.76 | CCR1 (0.39) | ADORA1PBKALDH1A1POLBMAPT | |
| SCHEMBL4149204 | 0.75 | KDM5B (0.48) | PBKPARP1 | |
| SCHEMBL4164391 | 0.74 | PARP1 (0.44) | PBKALDH1A1PARP1HTR2CPDK2 | |
| SCHEMBL3949386 | 0.74 | BRD4 (0.40) | ADORA1BRD4PDK2PDK4GSK3B | |
| SCHEMBL3948904 | 0.74 | PDK2 (0.37) | ADORA1PBKALDH1A1POLBMAPT | |
| SCHEMBL3950357 | 0.73 | JAK3 (0.38) | ADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011002772-A1 | IMIDAZOPYRIDINE DERIVATIVES AND PBK INHIBITORS CONTAINING THE SAME | ONCOTHERAPY SCIENCE, INC. (JP) | 2011-01-06 | — | — | WO | disclosed |