Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.35 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.34 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | FLT4 | P35916 | 1/20 | 0.34 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.34 |
| ▸ | CLK2 | P49760 | 1/20 | 0.34 |
| ▸ | GSK3A | P49840 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.34 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.34 |
| ▸ | STK3 | Q13188 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29856959 | 0.85 | CYP2E1 (0.39) | PDK1PDK2PDK3PDK4DYRK3 | |
| SCHEMBL19211781 | 0.82 | KDM4C (0.39) | PTGS1PTGS2 | |
| SCHEMBL14448754 | 0.79 | PDK1 (0.51) | PDK1PDK2PDK3PDK4L3MBTL1 | |
| SCHEMBL18247413 | 0.78 | POLB (0.41) | L3MBTL1SMN1; SMN2PTGS1PTGS2JAK2 | |
| SCHEMBL5777576 | 0.78 | NAMPT (0.43) | — | |
| Propyne SCHEMBL6530506 | 0.76 | NAMPT (0.42) | — | |
| SCHEMBL19255631 | 0.75 | CYP1A2 (0.46) | SMN1; SMN2 | |
| SCHEMBL4768238 | 0.74 | KDM4E (0.44) | L3MBTL1SMN1; SMN2MAPTTSHR | |
| SCHEMBL18247656 | 0.74 | MAPT (0.43) | PDK1PDK2PDK3PDK4SMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL30325420 | 0.74 | KDM4C (0.40) | SMN1; SMN2PTGS1PTGS2JAK2TP53 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009005672-A1 | ANTIDIABETIC AZAINDOLES AND DIAZAINDOLES | MERCK & CO., INC. (US) | 2009-01-08 | — | — | WO | disclosed |
| WO-2009005672-A1 | ANTIDIABETIC AZAINDOLES AND DIAZAINDOLES | MERCK & CO., INC. (US) | 2009-01-08 | — | — | WO | disclosed |