Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | MMP13 | P45452 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 4/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | WDR5 | P61964 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6161603 | 0.88 | GABRP (0.47) | ALDH1A1HPGDBACE1POLBADORA2A | |
| SCHEMBL6161991 | 0.88 | ADORA2A (0.57) | KDM4EALDH1A1HPGDHSD17B10MAPT | |
| SCHEMBL6161872 | 0.87 | GABRP (0.47) | ADORA2AADORA1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL6162309 | 0.87 | LMNA (0.53) | ALDH1A1HPGDBACE1MAPTPOLB | |
| SCHEMBL6161545 | 0.86 | NPC1 (0.61) | KDM4EALDH1A1HPGDMMP13POLB | |
| SCHEMBL6162507 | 0.86 | ADORA2A (0.55) | ALDH1A1HPGDPOLBADORA2AADORA1 | |
| SCHEMBL6162671 | 0.85 | HPGD (0.55) | ALDH1A1HPGDPOLBADORA2AADORA1 | |
| SCHEMBL6163180 | 0.84 | NPC1 (0.58) | KDM4EALDH1A1HPGDMMP13BACE1 | |
| SCHEMBL6160996 | 0.84 | ADORA2A (0.55) | ALDH1A1HPGDPOLBADORA2AADORA1 | |
| SCHEMBL6160803 | 0.81 | ADORA2A (0.55) | ALDH1A1MAPTPOLBADORA2AADORA1 |
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 7 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 |