Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 3/20 | 0.50 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.45 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | IDH1 | O75874 | 12/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | IDH2 | P48735 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL5723781 | 0.84 | PIN1 (0.55) | PIN1CSNK1A1CLK4CNR1CNR2 | |
| SCHEMBL5723422 | 0.79 | PIN1 (0.50) | PIN1CSNK1A1CLK4CNR1CNR2 | |
| SCHEMBL2527306 | 0.76 | PIN1 (0.59) | PIN1CSNK1A1CLK4IDH1L3MBTL1 | |
| SCHEMBL5723463 | 0.74 | PIN1 (0.54) | PIN1CSNK1A1CLK4L3MBTL1GAA | |
| SCHEMBL5723588 | 0.73 | PIN1 (0.56) | PIN1CSNK1A1CLK4IDH1L3MBTL1 | |
| SCHEMBL5723434 | 0.72 | PIN1 (0.51) | PIN1CSNK1A1CLK4L3MBTL1GAA | |
| SCHEMBL5723859 | 0.70 | PIN1 (0.52) | PIN1CSNK1A1CLK4L3MBTL1GAA | |
| SCHEMBL5723448 | 0.70 | PIN1 (0.52) | PIN1CSNK1A1CLK4L3MBTL1GAA | |
| SCHEMBL5723384 | 0.69 | POLB (0.35) | — | |
| SCHEMBL5723482 | 0.69 | PIN1 (0.51) | PIN1CSNK1A1CLK4L3MBTL1GAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1406876-B1 | 2-ANILINO-PYRIMIDINE DERIVATIVES AS CYCLIN DEPENDENT KINASE INHIBITORS | ASTRAZENECA AB (SE) | 2006-12-27 | — | — | EP | disclosed |
| US-6939872-B2 | 2-anilino-pyrimidine derivatives as cyclin dependent kinase inhibitors | ASTRAZENECA AB (SE) | 2005-09-06 | — | — | US | disclosed |