Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CUL4A | Q13619 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.37 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.36 |
| ▸ | EGFR | P00533 | 2/20 | 0.36 |
| ▸ | ATR | Q13535 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.35 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.35 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.34 |
| ▸ | PLK4 | O00444 | 1/20 | 0.34 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.34 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.34 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.34 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8835808 | 0.81 | MAPK1 (0.43) | NPC1EGFRPIM1MAPK1KDR | |
| SCHEMBL8836071 | 0.80 | KDM1A (0.41) | NPC1EGFRPIM1JAK3AURKB | |
| SCHEMBL8925818 | 0.80 | CDKN1A (0.44) | NPC1EGFRJAK3 | |
| SCHEMBL8836372 | 0.79 | MAPKAPK2 (0.39) | NPC1GABRA3GABRA2MAPKAPK2EGFR | |
| SCHEMBL7348104 | 0.79 | MAP4K1 (0.47) | CUL4AMAP4K1 | |
| SCHEMBL8835972 | 0.79 | MAPKAPK2 (0.37) | NPC1GABRA3GABRA2MAPKAPK2EGFR | |
| SCHEMBL8835557 | 0.75 | NOS1 (0.46) | NPC1EGFRL3MBTL1CASP3SENP8 | |
| SCHEMBL9040921 | 0.74 | CUL4A (0.42) | CUL4ANPC1MAPKAPK2L3MBTL1MAP4K1 | |
| SCHEMBL8835838 | 0.73 | NPC1 (0.46) | NPC1ATRIDO1L3MBTL1CASP3 | |
| SCHEMBL8835815 | 0.71 | MAPK1 (0.49) | CUL4ANPC1MAPKAPK2EGFRPIM1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1994011374-A1 | CERTAIN ARYL SUBSTITUTED PYRROLOPYRAZINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 1994-05-26 | — | — | WO | claimed |
| 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 |