Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 3/20 | 0.47 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | G6PD | P11413 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | HKDC1 | Q2TB90 | 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 | |
|---|---|---|---|---|
| SCHEMBL7269351 | 0.82 | POLB (0.55) | POLBPARP1ADORA3KDM4EALDH1A1 | |
| SCHEMBL9260570 | 0.82 | ADORA3 (0.59) | POLBPARP1ADORA3ADORA1KDM4E | |
| SCHEMBL9255705 | 0.81 | ADORA1 (0.51) | POLBPARP1ADORA3ADORA1KDM4E | |
| SCHEMBL9256388 | 0.80 | ADORA3 (0.55) | POLBPARP1ADORA3KDM4EALDH1A1 | |
| SCHEMBL9262896 | 0.78 | ADORA3 (0.49) | POLBPARP1ADORA3KDM4EALDH1A1 | |
| SCHEMBL9265209 | 0.75 | POLB (0.48) | POLBPARP1ADORA3ADORA1KDM4E | |
| SCHEMBL9259533 | 0.75 | MAP4K4 (0.59) | POLBPARP1ADORA3KDM4EALDH1A1 | |
| SCHEMBL9258369 | 0.75 | POLB (0.48) | POLBPARP1ADORA3 | |
| SCHEMBL9261950 | 0.72 | ADORA3 (0.49) | POLBPARP1ADORA3KDM4EALDH1A1 | |
| SCHEMBL9264849 | 0.72 | MAP4K4 (0.54) | POLBPARP1ADORA3ADORA1KDM4E |
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 |