Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 3/20 | 0.49 |
| ▸ | LIG1 | P18858 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | XDH | P47989 | 1/20 | 0.45 |
| ▸ | CUL4A | Q13619 | 2/20 | 0.43 |
| ▸ | NOS1 | P29475 | 3/20 | 0.42 |
| ▸ | MTOR | P42345 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | WDR5 | P61964 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 2/20 | 0.40 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.40 |
| ▸ | YES1 | P07947 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8835824 | 0.86 | GAA (0.49) | ALDH1A1HPGDKMT2AWDR5KDM4E | |
| SCHEMBL8835808 | 0.83 | MAPK1 (0.43) | MAPK1ALDH1A1NOS1PARP1KDM4E | |
| SCHEMBL8925818 | 0.82 | CDKN1A (0.44) | ALDH1A1RXFP1NPC1GAARAB9A | |
| SCHEMBL8836071 | 0.82 | KDM1A (0.41) | PIM1NPC1GAARAB9AEGFR | |
| SCHEMBL8922226 | 0.80 | MAPK1 (0.42) | MAPK1LIG1ALDH1A1HPGDXDH | |
| SCHEMBL7357240 | 0.80 | CUL4A (0.44) | ALDH1A1HPGDCUL4AKMT2AWDR5 | |
| SCHEMBL9043690 | 0.75 | CUL4A (0.43) | ALDH1A1HPGDCUL4AKMT2AKDM4E | |
| SCHEMBL8835557 | 0.72 | NOS1 (0.46) | ALDH1A1HPGDNOS1KMT2APARP1 | |
| SCHEMBL8836333 | 0.72 | MAPK1 (0.51) | MAPK1LIG1ALDH1A1HPGDXDH | |
| SCHEMBL8835550 | 0.71 | CUL4A (0.42) | MAPK1CUL4APIM1KDRMAPKAPK2 |
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 6 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 |
| WO-1994011374-A1 | CERTAIN ARYL SUBSTITUTED PYRROLOPYRAZINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 1994-05-26 | — | — | WO | disclosed |
| US-5286860-A | Certain aryl substituted pyrrolopyrazines; a new class of GABA brain receptor ligands | NEUROGEN CORPORATION (US) | 1994-02-15 | — | — | US | disclosed |