Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.34 |
| ▸ | BUB1 | O43683 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | PRKACG | P22612 | 1/20 | 0.34 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.34 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | ACSL5 | Q9ULC5 | 1/20 | 0.34 |
| ▸ | STK24 | Q9Y6E0 | 1/20 | 0.34 |
| ▸ | CD38 | P28907 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.34 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | HPGDS | O60760 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8222280 | 1.00 | L3MBTL1 (0.35) | L3MBTL1TRPV1BUB1CYP2C9PRKACG | |
| SCHEMBL12062383 | 0.84 | BRD4 (0.35) | L3MBTL1TRPV1CD38ALDH1A1CDK1 | |
| SCHEMBL12000436 | 0.81 | EPHX1 (0.46) | L3MBTL1ALDH1A1BRD4KDM4EPOLB | |
| SCHEMBL8220657 | 0.81 | EPHX1 (0.46) | L3MBTL1ALDH1A1BRD4KDM4EPOLB | |
| SCHEMBL8215065 | 0.79 | DYRK1A (0.41) | ALDH1A1EPHX2PKMKDM4ELMNA | |
| SCHEMBL1286744 | 0.79 | DYRK1A (0.41) | ALDH1A1EPHX2PKMKDM4ELMNA | |
| SCHEMBL8262291 | 0.79 | F2 (0.39) | TRPV1CD38CDK1CCNB1CCNA2 | |
| SCHEMBL8212906 | 0.78 | EPHX2 (0.44) | L3MBTL1ALDH1A1CDK1CCNB1CCNA2 | |
| SCHEMBL8216567 | 0.78 | EPHX2 (0.44) | L3MBTL1ALDH1A1CDK1CCNB1CCNA2 | |
| SCHEMBL1286712 | 0.75 | CDK1 (0.48) | L3MBTL1TRPV1CDK1CCNB1CCNA2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1651612-B9 | 3,4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASES (CDK) AND GLYCOGEN SYNTHASE KINASE-3 (GSK-3) MODULATORS | ASTEX THERAPEUTICS LTD (GB) | 2012-09-05 | — | — | EP | disclosed |
| EP-1651612-B1 | 3,4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASES (CDK) AND GLYCOGEN SYNTHASE KINASE-3 (GSK-3) MODULATORS | ASTEX THERAPEUTICS LTD (GB) | 2012-04-11 | — | — | EP | disclosed |
| 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 |
| WO-2008007122-A2 | COMBINATIONS OF PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDKS AND GSK'S | ASTEX THERAPEUTICS LIMITED (GB) | 2008-01-17 | — | — | WO | disclosed |