Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 19/20 | 0.84 |
| ▸ | GABRG2 | P18507 | 19/20 | 0.84 |
| ▸ | GABRB3 | P28472 | 19/20 | 0.84 |
| ▸ | GABRA5 | P31644 | 19/20 | 0.84 |
| ▸ | GABRA3 | P34903 | 19/20 | 0.84 |
| ▸ | GABRA2 | P47869 | 19/20 | 0.84 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.84 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.84 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL7208540 | 0.96 | GABRA1 (0.84) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL2461190 | 0.91 | GABRA1 (1.00) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL7478334 | 0.87 | GABRA1 (0.80) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL7208539 | 0.85 | GABRA1 (0.80) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL7212221 | 0.85 | GABRA1 (0.84) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL7473941 | 0.85 | GABRA1 (0.80) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL7212885 | 0.85 | GABRA1 (0.84) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL7480925 | 0.83 | GABRA1 (0.80) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL7208586 | 0.83 | GABRA1 (0.59) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL7478748 | 0.83 | GABRA1 (0.79) | GABRA1GABRG2GABRB3GABRA5GABRA3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6613766-B1 | Compounds such as 3-(5-methylisoxazol-3-yl)-5-(2-pyridyl-methyloxy)-1,2,3a,4,6 -pentaazacyclopenta(a)naphthalene, having high receptivity for the inhibitory neurotransmitter, gamma-aminobutyric acid (GABA); learning enhancement | MERCK SHARP & DOHME LTD. | 2003-09-02 | — | — | US | claimed |
| US-6613766-B1 | Compounds such as 3-(5-methylisoxazol-3-yl)-5-(2-pyridyl-methyloxy)-1,2,3a,4,6 -pentaazacyclopenta(a)naphthalene, having high receptivity for the inhibitory neurotransmitter, gamma-aminobutyric acid (GABA); learning enhancement | MERCK SHARP & DOHME LTD. | 2003-09-02 | — | — | US | disclosed |
| EP-1129090-A1 | PENTAAZA-CYCLOPENTA A]NAPHTHALENE DERIVATIVES AS LIGANDS FOR GABA A? $g(a)5 RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 2001-09-05 | — | — | EP | disclosed |
| WO-2000029412-A1 | PENTAAZA-CYCLOPENTA[A]NAPHTHALENE DERIVATIVES AS LIGANDS FOR GABAA α5 RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2000-05-25 | — | — | WO | disclosed |