Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.54 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | GUSB | P08236 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | CSF1R | P07333 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 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 | |
|---|---|---|---|---|
| SCHEMBL9255705 | 0.83 | ADORA1 (0.51) | ADORA3ADORA2ANPC1ALDH1A1PKM | |
| SCHEMBL9256388 | 0.83 | ADORA3 (0.55) | ADORA3ADORA2AALDH1A1PKMPOLB | |
| SCHEMBL9259533 | 0.81 | MAP4K4 (0.59) | ADORA3ADORA2ANPC1ALDH1A1PKM | |
| SCHEMBL9265209 | 0.81 | POLB (0.48) | ADORA3ALDH1A1PKMKMT2AMEN1 | |
| SCHEMBL9262609 | 0.77 | DCLK1 (0.65) | ADORA3ADORA2ARAB9ASMN1; SMN2MAPT | |
| SCHEMBL7406660 | 0.76 | ADORA2A (0.45) | ADORA2ANPC1ALDH1A1PKMMAPK1 | |
| SCHEMBL9262896 | 0.75 | ADORA3 (0.49) | ADORA3NPC1ALDH1A1PKMRAB9A | |
| SCHEMBL9538661 | 0.75 | NPC1 (0.50) | ADORA3ADORA2ANPC1ALDH1A1RAB9A | |
| SCHEMBL2818120 | 0.74 | ADORA2A (0.69) | ADORA3ADORA2ANPC1ALDH1A1PKM | |
| SCHEMBL9261950 | 0.73 | ADORA3 (0.49) | ADORA3ALDH1A1PKMPOLBMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993004066-A1 | CERTAIN IMIDAZOQUINOXALINOLS; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 1993-03-04 | — | — | WO | claimed |
| US-5182386-A | G-Aminobutyric Acid | NEUROGEN CORPORATION (US) | 1993-01-26 | — | — | US | claimed |
| US-5473073-A | Useful in diagnosis or treatment of anxiety, sleep and seizure disorders, overdose with bezodiazepine drug and memory enhancement | NEUROGEN CORPORATION (US) | 1995-12-05 | — | — | US | disclosed |
| WO-1993004066-A1 | CERTAIN IMIDAZOQUINOXALINOLS; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 1993-03-04 | — | — | WO | disclosed |
| US-5182386-A | G-Aminobutyric Acid | NEUROGEN CORPORATION (US) | 1993-01-26 | — | — | US | disclosed |