Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 15/20 | 0.39 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.36 |
| ▸ | PLK4 | O00444 | 1/20 | 0.36 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.36 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.36 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | PHKG2 | P15735 | 1/20 | 0.36 |
| ▸ | PRKACA | P17612 | 1/20 | 0.36 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.36 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.36 |
| ▸ | CLK2 | P49760 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6807298 | 0.82 | PARP1 (0.60) | PARP1CHEK2AURKBPLK4MAPK13 | |
| SCHEMBL6807111 | 0.81 | PARP1 (0.46) | PARP1CHEK2AURKBKDRPLK4 | |
| SCHEMBL6801835 | 0.81 | AURKB (0.44) | PARP1CHEK2AURKBKDRPLK4 | |
| SCHEMBL6804968 | 0.81 | PARP1 (0.49) | PARP1CHEK2AURKBKDRPLA2G2A | |
| SCHEMBL6806674 | 0.80 | PARP1 (0.39) | PARP1CHEK2AURKBKDRPLK4 | |
| SCHEMBL6804756 | 0.79 | PARP1 (0.37) | PARP1CHEK2AURKBKDRPLK4 | |
| SCHEMBL3579908 | 0.75 | PARP1 (0.61) | PARP1CHEK2AURKBPLK4MAPK13 | |
| SCHEMBL29696369 | 0.75 | NPC1 (0.53) | PARP1CYP3A4CYP2C9CSNK1DDHODH | |
| SCHEMBL6804607 | 0.74 | PARP1 (0.45) | PARP1AURKBKDRDYRK3PRKD3 | |
| SCHEMBL6803965 | 0.74 | EPHX2 (0.55) | PARP1KDRPLK4ROCK2MAP4K4 |
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 |
|---|---|---|---|---|---|---|---|
| US-6696437-B1 | Heterocyclically substituted benzimidazoles, the production and application thereof | ABBOTT GMBH & CO. KG (DE) | 2004-02-24 | — | — | US | disclosed |