Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPKAPK2 | P49137 | 8/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.31 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.31 |
| ▸ | PLK4 | O00444 | 1/20 | 0.31 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.31 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.31 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.31 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.31 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.31 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.31 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | CDK1 | P06493 | 1/20 | 0.31 |
| ▸ | MET | P08581 | 1/20 | 0.31 |
| ▸ | PIM1 | P11309 | 1/20 | 0.31 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | AXL | P30530 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 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 | |
|---|---|---|---|---|
| SCHEMBL8836372 | 0.86 | MAPKAPK2 (0.39) | MAPKAPK2GABRA3GABRA2PLK4MAPK13 | |
| SCHEMBL8835509 | 0.86 | MAPK1 (0.34) | PIM1MAPK1KDR | |
| SCHEMBL9045358 | 0.80 | MAPKAPK2 (0.42) | MAPKAPK2CYP2C9 | |
| SCHEMBL8835550 | 0.79 | CUL4A (0.42) | MAPKAPK2GABRA3GABRA2PLK4MAPK13 | |
| SCHEMBL8836316 | 0.78 | MAPK1 (0.39) | MAPKAPK2PIM1MAPK1KDR | |
| SCHEMBL8835974 | 0.71 | CRBN (0.32) | MAPKAPK2CYP2C9 | |
| SCHEMBL9043057 | 0.69 | HTR2C (0.34) | GSK3A | |
| SCHEMBL9042756 | 0.65 | MAPKAPK2 (0.44) | MAPKAPK2CSNK1DMAPK14 | |
| SCHEMBL8835838 | 0.64 | NPC1 (0.46) | CYP2C9MAPK1NPC1ALOX5APFEN1 | |
| SCHEMBL8922226 | 0.63 | MAPK1 (0.42) | MAPKAPK2PIM1MAPK1KDR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5286860-A | Certain aryl substituted pyrrolopyrazines; a new class of GABA brain receptor ligands | NEUROGEN CORPORATION (US) | 1994-02-15 | — | — | US | claimed |
| US-5668283-A | Certain aryl substituted pyrrolopyrazines; a new class of GABA brain receptor ligands | NEUROGEN CORPORATION (US) | 1997-09-16 | — | — | US | disclosed |
| US-5606059-A | USEFUL IN THE DIAGNOSIS AND TREATMENT OF ANXIETY, SLEEP AND SEIZURE DISORDERS, OVERDOSE WITH BENZODIAZEPINE TYPE DRUGS AND THE ENHANCEMENT OF ALERTNESS | NEUROGEN CORPORATION (US) | 1997-02-25 | — | — | US | disclosed |
| US-5286860-A | Certain aryl substituted pyrrolopyrazines; a new class of GABA brain receptor ligands | NEUROGEN CORPORATION (US) | 1994-02-15 | — | — | US | disclosed |