Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.61 |
| ▸ | POLB | P06746 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | MMP13 | P45452 | 1/20 | 0.52 |
| ▸ | APEX1 | P27695 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | ROCK2 | O75116 | 5/20 | 0.51 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.51 |
| ▸ | PRKACA | P17612 | 1/20 | 0.50 |
| ▸ | PRKACG | P22612 | 1/20 | 0.50 |
| ▸ | PRKACB | P22694 | 1/20 | 0.50 |
| ▸ | GABRP | O00591 | 1/20 | 0.50 |
| ▸ | GABRD | O14764 | 1/20 | 0.50 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.50 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.50 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.50 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL6163180 | 0.98 | NPC1 (0.58) | NPC1POLBKDM4EUSP2ALDH1A1 | |
| SCHEMBL6164599 | 0.88 | ADORA2A (0.58) | POLBALDH1A1HPGDRAB9AROCK2 | |
| SCHEMBL6162159 | 0.87 | ADORA2A (0.57) | POLBALDH1A1HPGDRAB9AROCK2 | |
| SCHEMBL6162143 | 0.87 | ADORA2A (0.57) | POLBALDH1A1HPGDRAB9AROCK2 | |
| SCHEMBL6160635 | 0.86 | KDM4E (0.50) | NPC1POLBKDM4EALDH1A1HPGD | |
| SCHEMBL6161603 | 0.85 | GABRP (0.47) | NPC1POLBALDH1A1HPGDRAB9A | |
| SCHEMBL6162309 | 0.84 | LMNA (0.53) | NPC1POLBALDH1A1HPGDRAB9A | |
| SCHEMBL6161872 | 0.84 | GABRP (0.47) | NPC1APEX1RAB9AGABRPGABRD | |
| SCHEMBL6162507 | 0.84 | ADORA2A (0.55) | NPC1POLBALDH1A1HPGDRAB9A | |
| SCHEMBL6162671 | 0.82 | HPGD (0.55) | NPC1POLBALDH1A1HPGDRAB9A |
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 9 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 |
| EP-1056724-A2 | SUBSTITUTED CYCLOALKYL-4-OXONICOTINIC CARBOXAMIDES; GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2000-12-06 | — | — | EP | claimed |
| WO-1999043661-A2 | SUBSTITUTED CYCLOALKYL-4-OXONICOTINIC CARBOXAMIDES; GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 1999-09-02 | — | — | WO | claimed |
| EP-1056724-B1 | SUBSTITUTED CYCLOALKYL-4-OXONICOTINIC CARBOXAMIDES; GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORP (US) | 2005-05-25 | — | — | EP | disclosed |
| 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 | disclosed |
| US-6194427-B1 | BRAIN DISORDERS; PSYCHOLOGICAL DISORDERS; SLEEP DISORDERS; ANTICONVULSANTS | NEUROGEN CORPORATION | 2001-02-27 | — | — | US | disclosed |
| EP-1056724-A2 | SUBSTITUTED CYCLOALKYL-4-OXONICOTINIC CARBOXAMIDES; GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2000-12-06 | — | — | EP | disclosed |
| WO-1999043661-A2 | SUBSTITUTED CYCLOALKYL-4-OXONICOTINIC CARBOXAMIDES; GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 1999-09-02 | — | — | WO | disclosed |