Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.39 |
| ▸ | KMO | O15229 | 2/20 | 0.33 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.32 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.32 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.30 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.30 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6294072 | 0.91 | KEAP1 (0.36) | KEAP1NFE2L2GABRG2GABRB3GABRA3 | |
| SCHEMBL6297203 | 0.83 | GABRG2 (0.39) | KEAP1NFE2L2KMOKMT2AMEN1 | |
| SCHEMBL2657024 | 0.78 | KEAP1 (0.40) | KEAP1NFE2L2KMT2AALDH1A1HPGD | |
| SCHEMBL2657167 | 0.75 | KEAP1 (0.38) | KEAP1NFE2L2GAAALDH1A1HPGD | |
| SCHEMBL6292914 | 0.71 | DCTPP1 (0.38) | KEAP1NFE2L2ESR2ALDH1A1HPGD | |
| SCHEMBL6292592 | 0.71 | GABRG2 (0.40) | KEAP1NFE2L2KMOKMT2AMEN1 | |
| SCHEMBL5228078 | 0.67 | GABRG2 (0.44) | GABRG2GABRB3GABRA3 | |
| SCHEMBL2658685 | 0.65 | GABRG2 (0.41) | KEAP1NFE2L2GAAHPGDGABRG2 | |
| SCHEMBL2653495 | 0.65 | GABRG2 (0.56) | GABRG2GABRB3GABRA3 | |
| SCHEMBL2658588 | 0.64 | KMT2A (0.38) | KEAP1NFE2L2KMT2AMEN1ALDH1A1 |
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-6872720-B2 | Pyrazolo-triazine derivatives as ligands for gaba receptors | MERCK SHARP & DOHME LTD. | 2005-03-29 | — | — | US | disclosed |