Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.71 |
| ▸ | DHODH | Q02127 | 1/20 | 0.71 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.64 |
| ▸ | ACHE | P22303 | 6/20 | 0.64 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.55 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.55 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.55 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.55 |
| ▸ | TBK1 | Q9UHD2 | 4/20 | 0.54 |
| ▸ | CDK2 | P24941 | 1/20 | 0.53 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.53 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.53 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.51 |
| ▸ | GCGR | P47871 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL6810424 | 0.86 | PARP1 (0.57) | PARP1DHODHCHEK2ACHEADORA2A | |
| SCHEMBL3578485 | 0.85 | PARP1 (0.96) | PARP1DHODHCHEK2ACHEAURKB | |
| SCHEMBL7135402 | 0.83 | PARP1 (0.58) | PARP1DHODHCHEK2ACHEAURKB | |
| SCHEMBL6800865 | 0.82 | PARP1 (0.52) | PARP1DHODHCHEK2ACHEADORA2A | |
| SCHEMBL6029990 | 0.82 | PARP1 (0.60) | PARP1DHODHCHEK2ACHECHEK1 | |
| SCHEMBL6806306 | 0.80 | PARP1 (0.47) | PARP1DHODHCHEK2ACHETBK1 | |
| SCHEMBL3575241 | 0.80 | MAP4K4 (0.72) | PARP1DHODHCHEK2ACHEADORA3 | |
| SCHEMBL6810662 | 0.79 | PARP1 (0.49) | PARP1DHODHCHEK2ACHEADORA2A | |
| SCHEMBL3575819 | 0.79 | CHEK1 (0.65) | PARP1DHODHCHEK2ACHEADORA3 | |
| SCHEMBL6805060 | 0.79 | AURKB (0.53) | PARP1DHODHCHEK2TBK1CDK2 |
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-7781596-B1 | Substituted 2-phenylbenzimidazoles, the production thereof and their use | ABBOTT LABORATORIES (US) | 2010-08-24 | — | — | US | disclosed |