Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | WDR5 | P61964 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | DYRK2 | Q92630 | 2/20 | 0.33 |
| ▸ | CLK1 | P49759 | 1/20 | 0.33 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.32 |
| ▸ | ACVR1B | P36896 | 1/20 | 0.32 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.32 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.32 |
| ▸ | ACP1 | P24666 | 1/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | PIP5K1C | O60331 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.32 |
| ▸ | PI4KA | P42356 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19781576 | 0.75 | DYRK1A (0.50) | WDR5TP53MAPTMCL1DYRK1A | |
| SCHEMBL19781531 | 0.68 | DYRK1A (0.45) | MAPTDYRK1AATM | |
| SCHEMBL21449908 | 0.68 | DYRK1A (0.55) | MAPTMCL1DYRK1APIM3ATM | |
| SCHEMBL19781550 | 0.65 | FDPS (0.40) | CYP1A2WDR5TP53MAPTMCL1 | |
| SCHEMBL21449929 | 0.64 | GABRP (0.45) | DYRK1APIK3CDPIK3CAPIK3CBPIK3CG | |
| SCHEMBL31140240 | 0.63 | CYP2D6 (0.59) | CYP1A2WDR5TP53MAPTMCL1 | |
| SCHEMBL14988627 | 0.62 | MAP4K4 (0.46) | CYP1A2WDR5TP53MAPTMCL1 | |
| SCHEMBL19781608 | 0.62 | FGFR1 (0.46) | CYP1A2MAPTDYRK1AATMMAOA | |
| SCHEMBL25002926 | 0.61 | MCL1 (0.43) | CYP1A2WDR5TP53MAPTMCL1 | |
| SCHEMBL19781584 | 0.61 | KDM4E (0.47) | CYP1A2WDR5TP53MAPTMAP4K4 |
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-1993022314-A1 | CERTAIN ARYL AND CYCLOALKYL FUSED IMIDAZOPYRAZINEDIONES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 1993-11-11 | — | — | WO | disclosed |