Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | BUB1 | O43683 | 6/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | CFTR | P13569 | 1/20 | 0.33 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | AURKB | Q96GD4 | 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 | |
|---|---|---|---|---|
| SCHEMBL4897236 | 0.83 | CFTR (0.49) | ROCK2ROCK1BUB1HPGDCFTR | |
| SCHEMBL7364883 | 0.82 | LMNA (0.46) | ROCK2ROCK1NAMPTCFTRKDM4E | |
| SCHEMBL7367371 | 0.81 | NTRK3 (0.42) | ROCK2ROCK1NAMPTCFTRKDM4E | |
| SCHEMBL7397423 | 0.81 | NPC1 (0.44) | ROCK2ROCK1KDM4EHSD17B10 | |
| SCHEMBL7384705 | 0.81 | BUB1 (0.43) | ROCK2ROCK1BUB1NAMPTKDM4E | |
| SCHEMBL7364057 | 0.81 | MAPT (0.43) | ROCK2ROCK1 | |
| SCHEMBL7397449 | 0.81 | MAPT (0.47) | ROCK2ROCK1BUB1KDM4EAURKA | |
| SCHEMBL7366047 | 0.81 | ROCK2 (0.42) | ROCK2ROCK1HPGDNAMPTCFTR | |
| SCHEMBL7360138 | 0.81 | LMNA (0.43) | ROCK2ROCK1BUB1HPGDKDM4E | |
| SCHEMBL7360053 | 0.81 | CFTR (0.49) | MAPK14ROCK2ROCK1BUB1HPGD |
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-1998002433-A1 | CERTAIN FUSED PYRROLECARBOXAMIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 1998-01-22 | — | — | WO | claimed |
| US-6096887-A | USEFUL IN THE DIAGNOSIS AND TREATMENT OF ANXIETY, SLEEP AND SEIZURE DISORDERS, OVERDOSE WITH BENZODIAZEPINE DRUGS AND FOR ENHANCEMENT OF MEMORY. | NEUROGEN CORPORATION (US) | 2000-08-01 | — | — | US | disclosed |
| US-5723462-A | SLEEP AND SEIZURE DISORDERS; COGNITION ACTIVATORS, ANXIOLYTIC AGENTS | NEUROGEN CORPORATION (US) | 1998-03-03 | — | — | US | disclosed |
| WO-1998002433-A1 | CERTAIN FUSED PYRROLECARBOXAMIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 1998-01-22 | — | — | WO | disclosed |