Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.42 |
| ▸ | DHODH | Q02127 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | VDR | P11473 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | SCD | O00767 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 4/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7080249 | 0.92 | KEAP1 (0.40) | KEAP1NFE2L2DHODHLMNAMAPK1 | |
| SCHEMBL2658133 | 0.83 | KEAP1 (0.42) | KEAP1NFE2L2DHODHLMNAMAPK1 | |
| SCHEMBL2658907 | 0.82 | KEAP1 (0.41) | KEAP1NFE2L2DHODHLMNAMAPK1 | |
| SCHEMBL2646994 | 0.81 | KEAP1 (0.43) | KEAP1NFE2L2DHODHLMNAMAPK1 | |
| SCHEMBL2653010 | 0.75 | KEAP1 (0.41) | KEAP1NFE2L2DHODHLMNAMAPK1 | |
| SCHEMBL2657024 | 0.68 | KEAP1 (0.40) | KEAP1NFE2L2VDRALDH1A1KMT2A | |
| SCHEMBL2653495 | 0.67 | GABRG2 (0.56) | — | |
| SCHEMBL16111000 | 0.66 | KEAP1 (0.51) | KEAP1NFE2L2LMNAMAPK1VDR | |
| SCHEMBL2657167 | 0.66 | KEAP1 (0.38) | KEAP1NFE2L2LMNAVDRALDH1A1 | |
| SCHEMBL4120837 | 0.66 | LMNA (0.56) | KEAP1NFE2L2LMNAMAPK1VDR |
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 |