Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.43 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.43 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9041842 | 0.89 | FGFR2 (0.44) | GAAKDM4ERAB9ASMN1; SMN2MAPT | |
| SCHEMBL9042373 | 0.88 | CYP1A1 (0.40) | GAAEGFRRAB9AMAPTNPC1 | |
| SCHEMBL9043690 | 0.86 | CUL4A (0.43) | EGFRCLK4KDM4EMAPTNPC1 | |
| SCHEMBL9041822 | 0.85 | EGFR (0.43) | GAAEGFRRAB9ASMN1; SMN2MAPT | |
| SCHEMBL9041707 | 0.82 | HPGDS (0.41) | GAAKDM4ERAB9ASMN1; SMN2MAPT | |
| SCHEMBL9040647 | 0.82 | BRD4 (0.39) | EGFRKDM4ERAB9ASMN1; SMN2MAPT | |
| SCHEMBL9044118 | 0.82 | EGFR (0.43) | GAAEGFRKDM4ERAB9ASMN1; SMN2 | |
| SCHEMBL9045521 | 0.82 | EGFR (0.43) | GAAEGFRKDM4ERAB9ASMN1; SMN2 | |
| SCHEMBL9043615 | 0.82 | IDO1 (0.40) | KDM4ERAB9ASMN1; SMN2MAPTNPC1 | |
| SCHEMBL9040418 | 0.81 | KDM4E (0.40) | EGFRKDM4ERAB9ASMN1; SMN2NPC1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| EP-0738717-A1 | Certain substituted pyrimidines as intermediates for production of cycloalkyl and azacycloalkyl pyrrolopyrimidines | NEUROGEN CORPORATION (US) | 1996-10-23 | — | — | EP | claimed |
| 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 | claimed |
| 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 | claimed |
| EP-0552237-A1 | CERTAIN CYCLOALKYL AND AZACYCLOALKYL PYRROLOPYRIMIDINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 1993-07-28 | — | — | EP | claimed |
| WO-1992006094-A1 | CERTAIN CYCLOALKYL AND AZACYCLOALKYL PYRROLOPYRIMIDINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 1992-04-16 | — | — | WO | claimed |
| 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 |
| US-5585490-A | DIANGOSIS AND TREATMENT OF ANXIETY, SLEEP, AND SEIZURE DISORDERS | NEUROGEN CORPORATION (US) | 1996-12-17 | — | — | US | disclosed |
| EP-0738717-A1 | Certain substituted pyrimidines as intermediates for production of cycloalkyl and azacycloalkyl pyrrolopyrimidines | NEUROGEN CORPORATION (US) | 1996-10-23 | — | — | EP | disclosed |