Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.49 |
| ▸ | AURKA | O14965 | 1/20 | 0.47 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.47 |
| ▸ | CHEK2 | O96017 | 6/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | ATR | Q13535 | 3/20 | 0.42 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.42 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.41 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.41 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3580358 | 0.96 | PARP1 (0.53) | PARP1AURKAAURKBCHEK2PARP2 | |
| SCHEMBL6812407 | 0.86 | AURKA (0.50) | PARP1AURKAAURKB | |
| SCHEMBL3582864 | 0.85 | GRK6 (0.48) | PARP1CHEK2 | |
| SCHEMBL3577227 | 0.84 | AURKA (0.53) | PARP1AURKAAURKBCHEK2PARP2 | |
| SCHEMBL3587289 | 0.84 | AURKA (0.56) | PARP1AURKAAURKBCHEK2PARP2 | |
| SCHEMBL3582368 | 0.83 | AURKB (0.64) | PARP1AURKAAURKBCHEK2PARP2 | |
| SCHEMBL5621910 | 0.82 | HTR3A (0.48) | PARP1CHRNB2CHRNA4PIM1 | |
| SCHEMBL3579920 | 0.82 | AURKA (0.49) | PARP1AURKAAURKBCHEK2PARP2 | |
| SCHEMBL3582849 | 0.82 | AURKB (0.58) | PARP1AURKAAURKBCHEK2 | |
| SCHEMBL3584976 | 0.82 | ACVR1 (0.42) | PARP1AURKAAURKBCHEK2PIM1 |
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 |