Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIP5K1C | O60331 | 9/20 | 0.54 |
| ▸ | PIK3CA | P42336 | 9/20 | 0.54 |
| ▸ | MAPK8 | P45983 | 8/20 | 0.53 |
| ▸ | MAPK10 | P53779 | 8/20 | 0.53 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.50 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.49 |
| ▸ | PIP5K1B | O14986 | 3/20 | 0.48 |
| ▸ | PIP5K1A | Q99755 | 3/20 | 0.48 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.48 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.48 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.48 |
| ▸ | PI4KA | P42356 | 2/20 | 0.48 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.48 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.48 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.48 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.48 |
| ▸ | EGFR | P00533 | 1/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5251219 | 0.90 | EGFR (0.57) | MAPK8MAPK10CYP17A1EGFRCNR1 | |
| SCHEMBL6507767 | 0.87 | PIP5K1C (0.58) | PIP5K1CPIK3CAMAPK8MAPK10PIP5K1B | |
| SCHEMBL6502882 | 0.83 | IRAK4 (0.49) | CYP17A1EGFR | |
| SCHEMBL6507708 | 0.82 | PIP5K1C (0.63) | PIP5K1CPIK3CAMAPK8MAPK10ACVRL1 | |
| SCHEMBL24010535 | 0.81 | BRAF (0.57) | — | |
| SCHEMBL1518666 | 0.80 | MAPK10 (0.70) | PIP5K1CPIK3CAMAPK8MAPK10ACVRL1 | |
| SCHEMBL24004071 | 0.80 | ACVRL1 (0.47) | CYP17A1ACVRL1 | |
| SCHEMBL13754832 | 0.79 | CYP17A1 (0.64) | CYP17A1 | |
| SCHEMBL5544966 | 0.79 | CYP17A1 (0.47) | CYP17A1EGFR | |
| SCHEMBL8670718 | 0.79 | FDPS (0.50) | CYP17A1 |
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-2005003123-A1 | NOVEL PYRIDINE DERIVATIVES AS JNK SPECIFIC INHIBITORS | ASTRAZENECA AB (SE) | 2005-01-13 | — | — | WO | disclosed |