Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 5/20 | 0.39 |
| ▸ | FLT1 | P17948 | 2/20 | 0.39 |
| ▸ | FLT4 | P35916 | 2/20 | 0.39 |
| ▸ | PLK4 | O00444 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.39 |
| ▸ | INSR | P06213 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | MARK3 | P27448 | 1/20 | 0.39 |
| ▸ | FLT3 | P36888 | 1/20 | 0.39 |
| ▸ | CLK2 | P49760 | 1/20 | 0.39 |
| ▸ | GSK3A | P49840 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.39 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19030475 | 0.82 | PDE2A (0.53) | PDE2AALDH1A1KMT2APTPN1PARP1 | |
| SCHEMBL31727424 | 0.69 | MAPT (0.50) | ALDH1A1KMT2APARP1LMNAMAPT | |
| SCHEMBL19302284 | 0.67 | PYCR1 (0.53) | ALDH1A1KMT2APARP1LMNAMAPT | |
| SCHEMBL29935585 | 0.65 | PDE2A (0.40) | PDE2AKDRALDH1A1LMNARAB9A | |
| SCHEMBL29936092 | 0.64 | DRD2 (0.50) | KDRFLT1FLT4PLK4AURKA | |
| SCHEMBL19057672 | 0.63 | LTA4H (0.55) | ALDH1A1KMT2ALMNATDP1MEN1 | |
| SCHEMBL30949966 | 0.63 | LMNA (0.42) | BCHEALDH1A1KMT2ALMNAMAPT | |
| Hydrochloric Acid SCHEMBL3259774 | 0.63 | LMNA (0.50) | ALDH1A1KMT2APARP1LMNAMAPT | |
| SCHEMBL21796715 | 0.62 | NPBWR1 (0.51) | GSK3AGSK3BPDE1BNPBWR1MCHR1 | |
| SCHEMBL1135057 | 0.62 | LMNA (0.52) | ALDH1A1PDE1BACVRL1ACVR1NPBWR1 |
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-2017108723-A2 | PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2017-06-29 | — | — | WO | disclosed |