Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.50 |
| ▸ | KDR | P35968 | 1/20 | 0.50 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 6/20 | 0.44 |
| ▸ | DRD4 | P21917 | 6/20 | 0.44 |
| ▸ | DRD3 | P35462 | 6/20 | 0.44 |
| ▸ | PARP1 | P09874 | 9/20 | 0.43 |
| ▸ | DHODH | Q02127 | 1/20 | 0.40 |
| ▸ | GNRHR | P30968 | 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 | |
|---|---|---|---|---|
| SCHEMBL6589131 | 0.89 | AURKB (0.40) | AURKAKDRAURKBPARP1GNRHR | |
| SCHEMBL6805695 | 0.87 | AURKB (0.66) | AURKAKDRAURKBCA12CA1 | |
| SCHEMBL6584782 | 0.86 | AURKA (0.46) | AURKAKDRAURKBPARP1DHODH | |
| SCHEMBL6586196 | 0.86 | BRD4 (0.44) | PARP1 | |
| SCHEMBL6590870 | 0.86 | AURKB (0.51) | AURKAKDRAURKBDRD2DRD3 | |
| SCHEMBL6587787 | 0.85 | AURKA (0.46) | AURKAKDRAURKBDRD2PARP1 | |
| SCHEMBL6581529 | 0.81 | AURKB (0.58) | AURKAKDRAURKBPARP1DHODH | |
| SCHEMBL6873471 | 0.81 | AURKA (0.49) | AURKAKDRAURKBDRD2DRD4 | |
| SCHEMBL6587418 | 0.80 | AURKB (0.77) | AURKAKDRAURKBPARP1DHODH | |
| SCHEMBL6580774 | 0.79 | PARP1 (0.56) | AURKAKDRAURKBPARP1DHODH |
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 |