Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 9/20 | 0.40 |
| ▸ | AURKA | O14965 | 8/20 | 0.40 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5328430 | 0.66 | AURKA (0.55) | KDRAURKA | |
| SCHEMBL5334758 | 0.66 | KDR (0.43) | KDRAURKACDK1PARP1 | |
| SCHEMBL29029873 | 0.65 | CA12 (0.60) | KDRAURKACA12CA9PARP1 | |
| SCHEMBL5331753 | 0.62 | AURKA (0.42) | KDRAURKACDK1CA12CA9 | |
| SCHEMBL5330620 | 0.61 | BRD4 (0.55) | CA12CA9 | |
| SCHEMBL2980978 | 0.60 | ALDH1A1 (0.39) | CA12 | |
| SCHEMBL30775231 | 0.60 | AURKA (0.61) | KDRAURKACDK1CA12CA9 | |
| Bicarbonate SCHEMBL29928922 | 0.58 | CA12 (0.84) | KDRAURKACA12CA9PARP1 | |
| Bicarbonate SCHEMBL21081705 | 0.58 | CA12 (0.84) | KDRAURKACA12CA9PARP1 | |
| SCHEMBL8216557 | 0.57 | ALDH1A1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007047646-A2 | SUBSTITUTED DIHYDRO-ISOINDOLONES USEFUL IN TREATING KINASE DISORDERS | JANSSEN PHARMACEUTICA, N.V. (BE) | 2007-04-26 | — | — | WO | disclosed |