Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 3/20 | 0.42 |
| ▸ | LIG1 | P18858 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | NOS1 | P29475 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPKAPK2 | P49137 | 7/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | XDH | P47989 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 2/20 | 0.37 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.37 |
| ▸ | YES1 | P07947 | 2/20 | 0.37 |
| ▸ | PIM1 | P11309 | 2/20 | 0.37 |
| ▸ | KDR | P35968 | 2/20 | 0.37 |
| ▸ | HIPK1 | Q86Z02 | 2/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8836316 | 0.86 | MAPK1 (0.39) | MAPK1LIG1ALDH1A1NOS1KDM4E | |
| SCHEMBL8835815 | 0.80 | MAPK1 (0.49) | MAPK1LIG1ALDH1A1NOS1KDM4E | |
| SCHEMBL9042258 | 0.79 | MAPKAPK2 (0.45) | ALDH1A1KDM4EHSD17B10MAPTNPSR1 | |
| SCHEMBL8836372 | 0.76 | MAPKAPK2 (0.39) | MAPK1MAPKAPK2PIM1KDR | |
| SCHEMBL9422936 | 0.71 | ALDH1A1 (0.43) | MAPK1ALDH1A1KDM4EHSD17B10MAPT | |
| SCHEMBL9039378 | 0.69 | ALDH1A1 (0.38) | ALDH1A1KDM4EHSD17B10MAPTNPSR1 | |
| SCHEMBL8835824 | 0.68 | GAA (0.49) | ALDH1A1KDM4EHSD17B10MAPTHPGD | |
| SCHEMBL6880205 | 0.67 | HSD17B10 (0.52) | ALDH1A1KDM4EHSD17B10MAPTTSHR | |
| SCHEMBL9040969 | 0.66 | MAPKAPK2 (0.43) | ALDH1A1KDM4EHSD17B10MAPTNPSR1 | |
| SCHEMBL8836333 | 0.66 | MAPK1 (0.51) | MAPK1LIG1ALDH1A1KDM4EMAPT |
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 |
|---|---|---|---|---|---|---|---|
| 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-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 |