Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 13/20 | 0.56 |
| ▸ | DHODH | Q02127 | 3/20 | 0.56 |
| ▸ | AURKB | Q96GD4 | 5/20 | 0.48 |
| ▸ | PKN1 | Q16512 | 3/20 | 0.48 |
| ▸ | PKN2 | Q16513 | 3/20 | 0.48 |
| ▸ | PIM1 | P11309 | 3/20 | 0.48 |
| ▸ | PIM3 | Q86V86 | 3/20 | 0.48 |
| ▸ | MKNK2 | Q9HBH9 | 3/20 | 0.48 |
| ▸ | BRSK1 | Q8TDC3 | 2/20 | 0.48 |
| ▸ | PRKD3 | O94806 | 2/20 | 0.48 |
| ▸ | CLK2 | P49760 | 2/20 | 0.48 |
| ▸ | GSK3A | P49840 | 2/20 | 0.48 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.48 |
| ▸ | PRKD2 | Q9BZL6 | 2/20 | 0.48 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.48 |
| ▸ | STK17A | Q9UEE5 | 2/20 | 0.48 |
| ▸ | PLK4 | O00444 | 1/20 | 0.48 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.48 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.48 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6799952 | 0.96 | PARP1 (0.56) | PARP1DHODHAURKBPKN1PKN2 | |
| SCHEMBL6806298 | 0.93 | PARP1 (0.65) | PARP1DHODHAURKBPKN1PKN2 | |
| SCHEMBL6810652 | 0.92 | PARP1 (0.66) | PARP1DHODHAURKBPKN1PKN2 | |
| SCHEMBL6810111 | 0.91 | PARP1 (0.57) | PARP1DHODHAURKBPKN1PKN2 | |
| SCHEMBL7534102 | 0.89 | PARP1 (0.43) | PARP1DHODHAURKBPIM1PIM3 | |
| SCHEMBL6809929 | 0.89 | PARP1 (0.65) | PARP1DHODHAURKBPKN1PKN2 | |
| SCHEMBL6802857 | 0.88 | AURKB (0.59) | PARP1DHODHAURKBPKN1PKN2 | |
| SCHEMBL6805788 | 0.88 | PARP1 (0.67) | PARP1DHODHAURKBPKN1PKN2 | |
| SCHEMBL6806262 | 0.87 | AURKB (0.57) | PARP1DHODHAURKBPKN1PKN2 | |
| SCHEMBL6806004 | 0.87 | PARP1 (0.40) | PARP1DHODHCHEK2ROCK1 |
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 |