Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 18/20 | 0.53 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.53 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.53 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.45 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.45 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.45 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.45 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8224659 | 0.82 | ADORA3 (0.60) | ADORA3ADORA1ADORA2A | |
| SCHEMBL7386052 | 0.82 | EGFR (0.42) | ADORA3ADORA1ADORA2A | |
| SCHEMBL13341459 | 0.77 | ADORA2A (0.49) | ADORA1ADORA2A | |
| SCHEMBL7387947 | 0.74 | ADORA3 (0.42) | ADORA3ADORA1ADORA2A | |
| SCHEMBL7381557 | 0.71 | GABRA1 (0.72) | ADORA3ADORA1ADORA2AGABRA1GABRG2 | |
| SCHEMBL13341575 | 0.70 | NPSR1 (0.50) | — | |
| SCHEMBL8220813 | 0.68 | MEN1 (0.39) | — | |
| SCHEMBL10552036 | 0.68 | NPC1 (0.58) | — | |
| SCHEMBL9985081 | 0.68 | KDM4E (0.65) | — | |
| SCHEMBL30103255 | 0.68 | NPC1 (0.58) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5955465-A | USEFUL IN THE DIAGNOSIS AND TREATMENT OF ANXIETY, SLEEP, AND SEIZURE DISORDERS, OVERDOSE WITH BENZODIAZEPINE DRUGS, AND ENHANCEMENT OF MEMORY | NEUROGEN CORPORATION (US) | 1999-09-21 | — | — | US | disclosed |
| WO-1999018106-A1 | NOVEL 1,2,4-TRIAZOLO[4,3-C]QUINAZOLIN-3-ONES AND 1,2,4-TRIAZOLO[4,3-C]QUINAZOLIN-3-THIONES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 1999-04-15 | — | — | WO | disclosed |
| US-5677309-A | FOR SELECTIVE BINDING TO GAMMA-AMINOBUTYRIC ACID RECEPTORS IN BRAIN | NEUROGEN CORPORATION (US) | 1997-10-14 | — | — | US | disclosed |