Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.42 |
| ▸ | MET | P08581 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.42 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | SPR | P35270 | 1/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | DHODH | Q02127 | 1/20 | 0.33 |
| ▸ | KCNA3 | P22001 | 2/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | TACR1 | P25103 | 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 | |
|---|---|---|---|---|
| SCHEMBL12668951 | 0.77 | CHEK1 (0.51) | CHEK1METGSK3BLIMK1DYRK1A | |
| SCHEMBL12667317 | 0.77 | GSK3B (0.46) | CHEK1METGSK3BLIMK1DYRK1A | |
| SCHEMBL12667302 | 0.76 | CHEK1 (0.55) | CHEK1METGSK3BLIMK1DYRK1A | |
| SCHEMBL12668046 | 0.75 | CHEK1 (0.45) | CHEK1METGSK3BLIMK1DYRK1A | |
| SCHEMBL12668956 | 0.74 | GSK3B (0.48) | CHEK1METGSK3BLIMK1DYRK1A | |
| SCHEMBL12668261 | 0.73 | CHEK1 (0.44) | CHEK1METGSK3BLIMK1DYRK1A | |
| SCHEMBL12668722 | 0.72 | GPR35 (0.34) | HCAR2 | |
| SCHEMBL12668005 | 0.69 | GPR35 (0.41) | HCAR2 | |
| SCHEMBL21813713 | 0.68 | CHEK1 (0.57) | CHEK1METGSK3BLIMK1DYRK1A | |
| SCHEMBL12667331 | 0.67 | CHEK1 (0.37) | CHEK1METGSK3BLIMK1DYRK1A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011060036-A1 | BICYCLIC COMPOUNDS AND METHODS OF USE THEREOF | SCHERING CORPORATION (US) | 2011-05-19 | — | — | WO | disclosed |