Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.34 |
| ▸ | SCD | O00767 | 2/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | ACACB | O00763 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.32 |
| ▸ | MTOR | P42345 | 2/20 | 0.32 |
| ▸ | ATR | Q13535 | 1/20 | 0.31 |
| ▸ | ATRIP | Q8WXE1 | 1/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.31 |
| ▸ | AOC3 | Q16853 | 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 | |
|---|---|---|---|---|
| SCHEMBL4971895 | 0.84 | CHRM3 (0.38) | CHRM3PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL25488821 | 0.81 | MAOB (0.39) | MAOBSMN1; SMN2SCDHTR6MAP4K4 | |
| SCHEMBL4984014 | 0.80 | JAK2 (0.43) | ACACBPIK3CA | |
| SCHEMBL4973192 | 0.76 | KDM4E (0.38) | SMN1; SMN2ALDH1A1CHRM3PDE4APDE4B | |
| SCHEMBL25488920 | 0.74 | MAOB (0.35) | MAOBSMN1; SMN2HTR6MAP4K4ALDH1A1 | |
| SCHEMBL4973335 | 0.73 | AOC3 (0.34) | MAOBSMN1; SMN2SCDHTR6PIK3CA | |
| SCHEMBL2337541 | 0.72 | SMN1; SMN2 (0.44) | SMN1; SMN2ALDH1A1PIK3CA | |
| SCHEMBL4974698 | 0.71 | SMN1; SMN2 (0.35) | SMN1; SMN2PDE10AATRATRIP | |
| SCHEMBL27978720 | 0.70 | CHRM4 (0.47) | SMN1; SMN2CHRM4 | |
| SCHEMBL26604072 | 0.68 | LMNA (0.48) | SMN1; SMN2MAP4K4ATRATRIP |
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-2008132502-A1 | PYRAZOLYL-AMINO-SUBSTITUTED PYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2008-11-06 | — | — | WO | disclosed |