Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 2/20 | 0.56 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.56 |
| ▸ | KDR | P35968 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.46 |
| ▸ | DGAT1 | O75907 | 3/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 10/20 | 0.44 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.43 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.42 |
| ▸ | TNKS | O95271 | 1/20 | 0.41 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.41 |
| ▸ | DHODH | Q02127 | 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 | |
|---|---|---|---|---|
| SCHEMBL6590217 | 0.96 | AURKA (0.59) | AURKAAURKBKDRKCNH2DGAT1 | |
| SCHEMBL6587264 | 0.92 | AURKA (0.55) | AURKAAURKBKDRKCNH2DGAT1 | |
| SCHEMBL6587278 | 0.91 | AURKA (0.54) | AURKAAURKBKDRKCNH2DGAT1 | |
| SCHEMBL6587512 | 0.91 | AURKA (0.54) | AURKAAURKBKDRKCNH2DGAT1 | |
| SCHEMBL6589042 | 0.89 | AURKA (0.56) | AURKAAURKBKDRKCNH2DGAT1 | |
| SCHEMBL6585737 | 0.89 | AURKA (0.65) | AURKAAURKBKDRKCNH2DGAT1 | |
| SCHEMBL6583917 | 0.89 | AURKA (0.60) | AURKAAURKBKDRKCNH2DGAT1 | |
| SCHEMBL7536444 | 0.89 | AURKA (0.51) | AURKAAURKBKDRKCNH2DGAT1 | |
| SCHEMBL6587629 | 0.88 | AURKA (0.72) | AURKAAURKBKDRKCNH2DGAT1 | |
| SCHEMBL6584337 | 0.87 | AURKB (0.53) | AURKAAURKBKCNH2PARP1PARP2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1177178-B1 | HETEROCYCLICALLY SUBSTITUTED BENZIMIDAZOLES, THE PRODUCTION AND APPLICATION THEREOF | ABBOTT GMBH & CO KG (DE) | 2004-12-29 | — | — | EP | disclosed |