Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 9/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6161991 | 0.86 | ADORA2A (0.57) | ADORA2AALDH1A1HPGDKDM4EADORA1 | |
| SCHEMBL6162507 | 0.85 | ADORA2A (0.55) | ADORA2AALDH1A1HPGDADORA1 | |
| SCHEMBL6160996 | 0.85 | ADORA2A (0.55) | ADORA2AALDH1A1HPGDADORA1 | |
| SCHEMBL6162143 | 0.84 | ADORA2A (0.57) | ADORA2AALDH1A1HPGDADORA1MAPT | |
| SCHEMBL6160803 | 0.84 | ADORA2A (0.55) | ADORA2AALDH1A1GAAADORA1MAPT | |
| SCHEMBL6162671 | 0.84 | HPGD (0.55) | ADORA2AALDH1A1HPGDADORA1 | |
| SCHEMBL6161944 | 0.84 | ADORA2A (0.55) | ADORA2AALDH1A1KDM4EADORA1MAPT | |
| SCHEMBL6164599 | 0.83 | ADORA2A (0.58) | ADORA2AALDH1A1HPGDADORA1MAPT | |
| SCHEMBL6162307 | 0.83 | ADORA2A (0.54) | ADORA2AALDH1A1HPGDKDM4EADORA1 | |
| SCHEMBL6162060 | 0.83 | POLB (0.54) | ADORA2AHPGDKDM4EADORA1TP53 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1056724-B1 | SUBSTITUTED CYCLOALKYL-4-OXONICOTINIC CARBOXAMIDES; GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORP (US) | 2005-05-25 | — | — | EP | claimed |
| US-6448259-B1 | CYCLOALKYL-4-OXONICOTINIC CARBOXAMIDES; AGONISTS, ANTAGONISTS OR INVERSE AGONISTS FOR GAMMA AMINOBUTYRIC ACID BINDING SITE, THE BENZODIAZEPINE RECEPTOR; ANXIETY, SLEEP AND SEIZURE DISORDERS SEDATIVE, ANXIOLYTIC AND ANTICONVULSANT ACTIVITY | NEUROGEN CORPORATION | 2002-09-10 | — | — | US | claimed |