Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 16/20 | 0.47 |
| ▸ | GABRG2 | P18507 | 16/20 | 0.47 |
| ▸ | GABRB3 | P28472 | 16/20 | 0.47 |
| ▸ | GABRA5 | P31644 | 16/20 | 0.47 |
| ▸ | GABRA3 | P34903 | 16/20 | 0.47 |
| ▸ | GABRA2 | P47869 | 16/20 | 0.47 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.47 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.47 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7476161 | 0.89 | GABRA1 (0.54) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL7207913 | 0.82 | GABRA1 (0.48) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL7209145 | 0.82 | GABRA1 (0.65) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL7214297 | 0.82 | GABRA1 (0.66) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL7212944 | 0.81 | GABRA1 (0.47) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL7209155 | 0.79 | GABRA1 (0.42) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL7207918 | 0.79 | GABRA1 (0.42) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL7420939 | 0.76 | GABRA1 (0.79) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL7483581 | 0.74 | GABRG2 (0.54) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL7479702 | 0.74 | GABRA1 (0.56) | 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 1 patent. 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 | disclosed |