Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 2/20 | 0.46 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.46 |
| ▸ | KDR | P35968 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 10/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | DHODH | Q02127 | 2/20 | 0.38 |
| ▸ | HTR1A | P08908 | 2/20 | 0.38 |
| ▸ | HTR1D | P28221 | 1/20 | 0.38 |
| ▸ | HTR1B | P28222 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6584782 | 0.96 | AURKA (0.46) | AURKAAURKBKDRPARP1ALDH1A1 | |
| SCHEMBL6587697 | 0.90 | AURKB (0.44) | AURKAAURKBKDRPARP1ALDH1A1 | |
| SCHEMBL6590117 | 0.90 | PARP1 (0.51) | AURKAAURKBPARP1ALDH1A1KDM4E | |
| SCHEMBL6806120 | 0.90 | AURKB (0.58) | AURKAAURKBKDRPARP1DHODH | |
| SCHEMBL6589815 | 0.89 | PARP1 (0.52) | AURKAAURKBPARP1ALDH1A1KDM4E | |
| SCHEMBL6587227 | 0.89 | PARP1 (0.44) | AURKAAURKBKDRPARP1ALDH1A1 | |
| SCHEMBL6583719 | 0.86 | PARP1 (0.43) | AURKAAURKBKDRPARP1ALDH1A1 | |
| SCHEMBL6587192 | 0.86 | PARP1 (0.50) | AURKBPARP1KDM4EDHODHHTR1A | |
| SCHEMBL6802857 | 0.85 | AURKB (0.59) | AURKAAURKBKDRPARP1DHODH | |
| SCHEMBL6587212 | 0.85 | AURKA (0.50) | AURKAAURKBKDRPARP1DRD2 |
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 |