Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.46 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.35 |
| ▸ | DYRK1B | Q9Y463 | 3/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.35 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.35 |
| ▸ | GSK3A | P49840 | 1/20 | 0.35 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.35 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | DYRK3 | O43781 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1163509 | 0.79 | CYP2A6 (0.54) | CYP2A6CLK4DYRK1BALDH1A1RAB9A | |
| SCHEMBL28167573 | 0.79 | CYP2A6 (0.46) | CYP2A6ALDH1A1KDM4EPTGS2RAB9A | |
| SCHEMBL29569628 | 0.79 | CYP2A6 (0.54) | CYP2A6CLK4DYRK1BALDH1A1RAB9A | |
| SCHEMBL27688161 | 0.75 | CYP2A6 (0.46) | CYP2A6MAOBPTGER4 | |
| SCHEMBL3436601 | 0.75 | CYP2A6 (0.46) | CYP2A6ALDH1A1MAOBPTGER4KMO | |
| SCHEMBL15968896 | 0.75 | CHEK1 (0.45) | CYP2A6CLK4DYRK1BCHEK1AURKA | |
| SCHEMBL8365861 | 0.75 | CYP2A6 (0.42) | CYP2A6ALDH1A1KDM4EMAOBPTGER4 | |
| SCHEMBL25429921 | 0.73 | CHEK1 (0.63) | CYP2A6CLK4DYRK1BCHEK1AURKA | |
| SCHEMBL4274694 | 0.73 | NR3C1 (0.50) | CYP2A6ALDH1A1KDM4E | |
| SCHEMBL31558317 | 0.72 | CYP2A6 (0.44) | CYP2A6MAOBPTGER4KMO |
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-2699572-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | Origenis GmbH (DE) | 2014-02-26 | — | — | EP | disclosed |
| EP-2699579-A1 | PYRAZOLO [4, 3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS | Origenis GmbH (DE) | 2014-02-26 | — | — | EP | disclosed |
| WO-2012143143-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | ORIGENIS GMBH (DE) | 2012-10-26 | — | — | WO | disclosed |
| WO-2012143144-A1 | PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS | ORIGENIS GMBH (DE) | 2012-10-26 | — | — | WO | disclosed |