Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH2 | P48735 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 5/20 | 0.50 |
| ▸ | GRK6 | P43250 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | PDE2A | O00408 | 2/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | PDE6D | O43924 | 1/20 | 0.40 |
| ▸ | PDE6A | P16499 | 1/20 | 0.40 |
| ▸ | PDE6G | P18545 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | PDE6B | P35913 | 1/20 | 0.40 |
| ▸ | PDE6C | P51160 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8774775 | 0.77 | IDH2 (0.44) | IDH2NPC1GRK6RAB9AHSD17B1 | |
| SCHEMBL8344303 | 0.75 | HTR2B (0.42) | NPC1RAB9ACYP19A1PDE4DMEN1 | |
| SCHEMBL16424643 | 0.75 | RECQL (0.37) | IDH2NPC1RAB9APDE2APDE10A | |
| SCHEMBL2118153 | 0.73 | ESR2 (0.52) | NPC1RAB9AMEN1KMT2AMAPT | |
| SCHEMBL16318931 | 0.71 | NPC1 (0.45) | NPC1RAB9ACYP19A1MEN1KMT2A | |
| SCHEMBL8774927 | 0.71 | ALDH1A1 (0.44) | IDH2NPC1GRK6RAB9AMEN1 | |
| SCHEMBL1711956 | 0.71 | CTSA (0.50) | GRK6MAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL13030444 | 0.71 | NPC1 (0.77) | NPC1RAB9APDE4APDE4DMEN1 | |
| SCHEMBL10645528 | 0.70 | ADORA3 (0.52) | NPC1RAB9ACYP19A1USP2ALOX15 | |
| SCHEMBL1620598 | 0.70 | NPC1 (0.53) | NPC1RAB9ACYP19A1HSD17B1HSD17B2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5688654-A | GAMMA-AMINOBUTYRIC ACID | NEUROGEN CORPORATION (US) | 1997-11-18 | — | — | US | disclosed |
| EP-0639275-B1 | NOVEL GABAa RECEPTOR SUBTYPES AND METHODS FOR SCREENING DRUG COMPOUNDS USING IMIDAZOQUINOXALINES AND PYRROLOPYRIMIDINES TO BIND TO GABAa RECEPTOR SUBTYPES | NEUROGEN CORP (US) | 1997-09-17 | — | — | EP | disclosed |
| US-5597920-A | Gabaa receptor subtypes and methods for screening drug compounds using imidazoquinoxalines and pyrrolopyrimidines to bind to gabaa receptor subtypes | NEUROGEN CORPORATION (US) | 1997-01-28 | — | — | US | disclosed |
| EP-0639275-A1 | NOVEL GABAa RECEPTOR SUBTYPES AND METHODS FOR SCREENING DRUG COMPOUNDS USING IMIDAZOQUINOXALINES AND PYRROLOPYRIMIDINES TO BIND TO GABAa RECEPTOR SUBTYPES. | NEUROGEN CORP (US) | 1995-02-22 | — | — | EP | disclosed |
| WO-1993022681-A1 | NOVEL GABAa RECEPTOR SUBTYPES AND METHODS FOR SCREENING DRUG COMPOUNDS USING IMIDAZOQUINOXALINES AND PYRROLOPYRIMIDINES TO BIND TO GABAa RECEPTOR SUBTYPES | NEUROGEN CORPORATION (US) | 1993-11-11 | — | — | WO | disclosed |