Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 3/20 | 0.38 |
| ▸ | DAPK3 | O43293 | 2/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | MARK3 | P27448 | 1/20 | 0.38 |
| ▸ | GSK3A | P49840 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 10/20 | 0.35 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.35 |
| ▸ | PLK4 | O00444 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6805937 | 0.86 | PLK4 (0.39) | AURKADAPK3CDK5ROCK1AURKB | |
| SCHEMBL6807483 | 0.83 | PARP1 (0.53) | ROCK1AURKBROCK2CHEK2PIM1 | |
| SCHEMBL6804675 | 0.81 | PARP1 (0.36) | AURKADAPK3CDK5ROCK1KDM4E | |
| SCHEMBL6805212 | 0.80 | PARP1 (0.39) | AURKADAPK3CDK5ROCK1PARP1 | |
| SCHEMBL6805469 | 0.78 | NPC1 (0.43) | CHEK2PARP1NPC1RAB9A | |
| SCHEMBL6807302 | 0.75 | TRPV1 (0.42) | PARP1RAB9AMAPT | |
| SCHEMBL6806365 | 0.74 | PARP1 (0.54) | AURKADAPK3CDK5ROCK1AURKB | |
| SCHEMBL6807466 | 0.73 | ALDH1A1 (0.42) | AURKADAPK3CDK5ROCK1KDM4E | |
| SCHEMBL6587689 | 0.72 | PARP1 (0.39) | AURKADAPK3CDK5ROCK1AURKB | |
| SCHEMBL7137491 | 0.70 | PARP1 (0.47) | CHEK2PARP1ALOX15 |
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 |