Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRG2 | P18507 | 15/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 15/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 15/20 | 0.38 |
| ▸ | VDR | P11473 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2658588 | 0.82 | KMT2A (0.38) | GABRG2GABRB3GABRA3VDRKMT2A | |
| SCHEMBL2653495 | 0.78 | GABRG2 (0.56) | GABRG2GABRB3GABRA3GABRA1 | |
| SCHEMBL7669649 | 0.78 | RAB9A (0.35) | GABRG2GABRB3GABRA3GABRA1KMT2A | |
| SCHEMBL5231248 | 0.72 | DCTPP1 (0.41) | GABRG2GABRB3GABRA3GABRA1 | |
| SCHEMBL2659148 | 0.71 | KMO (0.35) | GABRG2GABRB3GABRA3VDRKMT2A | |
| SCHEMBL2657024 | 0.71 | KEAP1 (0.40) | GABRG2GABRB3GABRA3VDRGABRA1 | |
| SCHEMBL5228078 | 0.67 | GABRG2 (0.44) | GABRG2GABRB3GABRA3GABRA1 | |
| SCHEMBL6292592 | 0.66 | GABRG2 (0.40) | GABRG2GABRB3GABRA3VDRGABRA1 | |
| SCHEMBL27735586 | 0.66 | PTGS2 (0.51) | VDRKMT2AKEAP1NFE2L2 | |
| SCHEMBL2657167 | 0.65 | KEAP1 (0.38) | GABRG2GABRB3GABRA3VDRGABRA1 |
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 |