Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRG2 | P18507 | 20/20 | 0.46 |
| ▸ | GABRB3 | P28472 | 20/20 | 0.46 |
| ▸ | GABRA3 | P34903 | 20/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 16/20 | 0.46 |
| ▸ | GABRA2 | P47869 | 14/20 | 0.46 |
| ▸ | GABRA5 | P31644 | 11/20 | 0.46 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.42 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7482590 | 0.89 | GABRA1 (0.52) | GABRG2GABRB3GABRA3GABRA1GABRA2 | |
| SCHEMBL7207870 | 0.86 | GABRG2 (0.59) | GABRG2GABRB3GABRA3GABRA1GABRA2 | |
| SCHEMBL7207868 | 0.83 | GABRA1 (0.45) | GABRG2GABRB3GABRA3GABRA1GABRA2 | |
| SCHEMBL7477658 | 0.78 | GABRA1 (0.54) | GABRG2GABRB3GABRA3GABRA1GABRA2 | |
| SCHEMBL2657390 | 0.77 | GABRG2 (0.61) | GABRG2GABRB3GABRA3GABRA1GABRA2 | |
| SCHEMBL7212208 | 0.76 | GABRA1 (0.57) | GABRG2GABRB3GABRA3GABRA1GABRA2 | |
| SCHEMBL7001266 | 0.75 | GABRG2 (0.71) | GABRG2GABRB3GABRA3GABRA1GABRA2 | |
| SCHEMBL7001260 | 0.75 | GABRG2 (0.46) | GABRG2GABRB3GABRA3GABRA1GABRA2 | |
| SCHEMBL7421406 | 0.75 | GABRA1 (0.70) | GABRG2GABRB3GABRA3GABRA1GABRA2 | |
| SCHEMBL7212944 | 0.74 | GABRA1 (0.47) | GABRG2GABRB3GABRA3GABRA1GABRA2 |
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 |