Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 6/20 | 0.39 |
| ▸ | CDK2 | P24941 | 3/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.37 |
| ▸ | VNN1 | O95497 | 1/20 | 0.37 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.36 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.35 |
| ▸ | CCR6 | P51684 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14418781 | 0.92 | ADORA2A (0.38) | GSK3BADORA2ACSNK2A1HIPK2BRD4 | |
| SCHEMBL13120400 | 0.91 | GSK3B (0.51) | ALDH1A1GSK3BCDK2ADORA2AVNN1 | |
| SCHEMBL13289312 | 0.90 | CDK2 (0.37) | ALDH1A1GSK3BCDK2CSNK2A1HIPK2 | |
| SCHEMBL13288966 | 0.89 | GSK3B (0.40) | GSK3BCDK2BRD4KDM4EMAPT | |
| SCHEMBL13288863 | 0.88 | CSNK2A1 (0.39) | ALDH1A1GSK3BCDK2CSNK2A1HIPK2 | |
| SCHEMBL13289307 | 0.88 | GSK3B (0.41) | GSK3BCDK2CSNK2A1HIPK2BRD4 | |
| SCHEMBL13288758 | 0.88 | KDM4E (0.42) | ALDH1A1GSK3BCDK2BRD4KDM4E | |
| SCHEMBL13288834 | 0.88 | GSK3B (0.42) | ALDH1A1GSK3BCDK2CSNK2A1HIPK2 | |
| SCHEMBL13288925 | 0.87 | CDK2 (0.39) | GSK3BCDK2KDM4EMAPTMAPK1 | |
| SCHEMBL13288912 | 0.86 | GSK3B (0.43) | ALDH1A1GSK3BCDK2CSNK2A1HIPK2 |
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-2194058-A1 | Pyrazolopyrimidines suitable for the treatment of cancer diseases | SCHERING CORPORATION (US) | 2010-06-09 | — | — | EP | disclosed |