Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRG2 | P18507 | 19/20 | 0.44 |
| ▸ | GABRB3 | P28472 | 19/20 | 0.44 |
| ▸ | GABRA3 | P34903 | 19/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5228723 | 0.84 | GABRG2 (0.44) | GABRG2GABRB3GABRA3GABRA1DCTPP1 | |
| SCHEMBL5231248 | 0.73 | DCTPP1 (0.41) | GABRG2GABRB3GABRA3GABRA1DCTPP1 | |
| SCHEMBL5227960 | 0.71 | GABRG2 (0.81) | GABRG2GABRB3GABRA3GABRA1 | |
| SCHEMBL6294077 | 0.67 | PDE2A (0.43) | GABRG2GABRB3GABRA3DCTPP1 | |
| SCHEMBL6297146 | 0.65 | DCTPP1 (0.41) | GABRG2GABRB3GABRA3GABRA1DCTPP1 | |
| SCHEMBL2650874 | 0.65 | GABRG2 (0.66) | GABRG2GABRB3GABRA3GABRA1 | |
| SCHEMBL2653631 | 0.64 | GABRG2 (0.65) | GABRG2GABRB3GABRA3GABRA1 | |
| SCHEMBL5230754 | 0.63 | GABRG2 (0.64) | GABRG2GABRB3GABRA3GABRA1 | |
| SCHEMBL6775681 | 0.60 | HSD11B1 (0.43) | GABRG2GABRB3GABRA3GABRA1DCTPP1 | |
| SCHEMBL30525938 | 0.60 | NOTUM (0.44) | DCTPP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1121361-B1 | PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME (GB) | 2007-08-29 | — | — | EP | disclosed |
| US-6476030-B1 | Pyrazolo-triazine derivatives as ligands for GABA receptors | MERCK SHARP & DOHME LTD. | 2002-11-05 | — | — | US | disclosed |