Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 12/20 | 0.44 |
| ▸ | DHODH | Q02127 | 4/20 | 0.44 |
| ▸ | AURKB | Q96GD4 | 5/20 | 0.42 |
| ▸ | AURKA | O14965 | 3/20 | 0.42 |
| ▸ | ATR | Q13535 | 2/20 | 0.39 |
| ▸ | KDR | P35968 | 3/20 | 0.38 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | CSF1R | P07333 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | PHKG2 | P15735 | 1/20 | 0.37 |
| ▸ | MARK3 | P27448 | 1/20 | 0.37 |
| ▸ | FLT3 | P36888 | 1/20 | 0.37 |
| ▸ | CLK2 | P49760 | 1/20 | 0.37 |
| ▸ | GSK3A | P49840 | 1/20 | 0.37 |
| ▸ | ITK | Q08881 | 1/20 | 0.37 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 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 | |
|---|---|---|---|---|
| SCHEMBL6591730 | 0.97 | AURKB (0.44) | PARP1DHODHAURKBAURKAATR | |
| SCHEMBL6587662 | 0.95 | PARP1 (0.46) | PARP1DHODHAURKBAURKAATR | |
| SCHEMBL6587284 | 0.92 | AURKB (0.47) | PARP1DHODHAURKBAURKAATR | |
| SCHEMBL7538951 | 0.90 | PARP1 (0.47) | PARP1DHODHAURKBAURKAKDR | |
| SCHEMBL6588412 | 0.90 | AURKB (0.46) | PARP1DHODHAURKBAURKAKDR | |
| SCHEMBL6800047 | 0.88 | PARP1 (0.56) | PARP1DHODHAURKBAURKAKDR | |
| SCHEMBL6587813 | 0.87 | AURKB (0.52) | PARP1DHODHAURKBAURKAKDR | |
| SCHEMBL6588575 | 0.86 | AURKB (0.54) | PARP1DHODHAURKBAURKAKDR | |
| SCHEMBL6590927 | 0.85 | AURKB (0.47) | PARP1DHODHAURKBAURKAKDR | |
| SCHEMBL6586442 | 0.85 | AURKB (0.49) | PARP1DHODHAURKBAURKAKDR |
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-1177178-B1 | HETEROCYCLICALLY SUBSTITUTED BENZIMIDAZOLES, THE PRODUCTION AND APPLICATION THEREOF | ABBOTT GMBH & CO KG (DE) | 2004-12-29 | — | — | EP | disclosed |