Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH2 | P48735 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CDKN1A | P38936 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | EEF2K | O00418 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | AMY1A | P0DUB6 | 2/20 | 0.36 |
| ▸ | NPY5R | Q15761 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9042023 | 0.91 | CDKN1A (0.44) | EGFRGAACDKN1AAMY1ATP53 | |
| SCHEMBL7356704 | 0.82 | KDM1A (0.40) | IDH2EGFRGAACDKN1AEEF2K | |
| SCHEMBL9043690 | 0.82 | CUL4A (0.43) | EGFRCDKN1ATP53MAPTLMNA | |
| SCHEMBL9040564 | 0.80 | PDE4A (0.38) | EGFRKDM1AMAPTKDR | |
| SCHEMBL9040921 | 0.80 | CUL4A (0.42) | GAANPC1RAB9A | |
| SCHEMBL8774614 | 0.80 | GAA (0.49) | EGFRGAATP53MAPTLMNA | |
| SCHEMBL9042373 | 0.79 | CYP1A1 (0.40) | EGFRGAATP53MAPTLMNA | |
| SCHEMBL7357469 | 0.79 | PIM1 (0.46) | EGFRPIM1KDM1ATP53MAPT | |
| SCHEMBL9041964 | 0.79 | MAP4K1 (0.43) | EGFRKDM1AMAPTLMNA | |
| SCHEMBL9040572 | 0.78 | PDGFRB (0.43) | MAPTNPC1RAB9A |
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 13 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 |
| 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 |