Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 8/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.36 |
| ▸ | PBK | Q96KB5 | 1/20 | 0.32 |
| ▸ | HPGDS | O60760 | 1/20 | 0.32 |
| ▸ | CDC7 | O00311 | 1/20 | 0.31 |
| ▸ | PIM1 | P11309 | 1/20 | 0.31 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.31 |
| ▸ | CSNK2A1 | P68400 | 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 | |
|---|---|---|---|---|
| SCHEMBL15941616 | 0.84 | MAPT (0.33) | PARP1 | |
| SCHEMBL17352600 | 0.81 | KDM4E (0.38) | PARP1HRH4 | |
| SCHEMBL15720193 | 0.81 | PARP1 (0.45) | PARP1PBKHPGDSCDC7PIM1 | |
| SCHEMBL2954548 | 0.80 | KDM4E (0.40) | HRH4 | |
| SCHEMBL2952916 | 0.77 | — | — | |
| SCHEMBL2949856 | 0.77 | DHFR (0.33) | — | |
| Hydrochloric Acid SCHEMBL5626676 | 0.74 | — | — | |
| SCHEMBL28261886 | 0.73 | HRH4 (0.44) | PARP1HRH4 | |
| SCHEMBL28261884 | 0.73 | HRH4 (0.44) | PARP1HRH4 | |
| SCHEMBL2953203 | 0.72 | PDE8B (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109937039-A | DUAL CLK/CDK1 INHIBITORS FOR CANCER TREATMENT | 斯坦福国际研究院 | 2019-06-25 | — | — | CN | disclosed |