Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNA2 | P20248 | 4/20 | 0.51 |
| ▸ | CDK2 | P24941 | 4/20 | 0.51 |
| ▸ | GSK3B | P49841 | 5/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.46 |
| ▸ | BCL3 | P20749 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 7/20 | 0.42 |
| ▸ | CNR2 | P34972 | 5/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CDK1 | P06493 | 3/20 | 0.38 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.37 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8228035 | 0.92 | CCNA2 (0.55) | CCNA2CDK2GSK3BKCNH2BCL3 | |
| SCHEMBL8219161 | 0.84 | CCNA2 (0.63) | CCNA2CDK2GSK3BKCNH2CNR1 | |
| SCHEMBL8261337 | 0.82 | CCNA2 (0.57) | CCNA2CDK2GSK3BKCNH2CNR1 | |
| SCHEMBL8219257 | 0.81 | CDK2 (0.56) | CCNA2CDK2CDK1CCNB1CCNA1 | |
| SCHEMBL1286693 | 0.81 | CDK2 (0.50) | CCNA2CDK2GSK3BKCNH2BCL3 | |
| SCHEMBL12992949 | 0.80 | MEN1 (0.40) | CCNA2CDK2GSK3BBCL3CDK1 | |
| SCHEMBL12992867 | 0.79 | NPC1 (0.43) | CCNA2CDK2GSK3BBCL3CDK1 | |
| SCHEMBL8226199 | 0.78 | CCNA2 (0.53) | CCNA2CDK2GSK3BKCNH2BCL3 | |
| SCHEMBL16692886 | 0.78 | POLB (0.42) | CCNA2CDK2 | |
| SCHEMBL8296061 | 0.77 | CDK2 (0.48) | CCNA2CDK2GSK3BKCNH2BCL3 |
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-2256106-A1 | 3,4-disubstituted 1H-pyrazole compounds and their use as cyclin dependent kinases (CDK) and glycogen synthase kinase-3 (GSK-3) modulators | Astex Therapeutics Limited (GB) | 2010-12-01 | — | — | EP | disclosed |