Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.49 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.33 |
| ▸ | PLA2G7 | Q13093 | 2/20 | 0.33 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | EIF4H | Q15056 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | PLEC | Q15149 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28825624 | 0.84 | GRIN2B (0.39) | NFE2L2CYP11B1CYP11B2GRIN1GRIN2B | |
| SCHEMBL28825579 | 0.82 | NFE2L2 (0.46) | NFE2L2CYP11B1CYP11B2TRPA1CYP1A1 | |
| SCHEMBL28825598 | 0.82 | GRIN2B (0.41) | NFE2L2CYP11B1CYP11B2GRIN1GRIN2B | |
| SCHEMBL28825625 | 0.79 | GRIN1 (0.43) | GRIN1GRIN2B | |
| SCHEMBL28825596 | 0.79 | ROCK2 (0.50) | NFE2L2CYP11B1CYP11B2CYP1A1CYP1A2 | |
| SCHEMBL28523455 | 0.78 | NFE2L2 (0.41) | NFE2L2CYP11B1CYP11B2TRPA1CYP1A1 | |
| SCHEMBL28825475 | 0.77 | CYP1A1 (0.52) | NFE2L2CYP11B1CYP11B2CYP1A1CYP1A2 | |
| SCHEMBL3299908 | 0.77 | NFE2L2 (0.54) | NFE2L2TRPA1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL28825627 | 0.73 | KCNQ3 (0.41) | NFE2L2TRPA1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL8485821 | 0.68 | VCP (0.41) | CYP11B1CYP11B2RAB9ACYP2A6HCAR2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114007610-A | Substituted heteroaromatic pyrazolopyridines and their use as modulators of the GLUN2B receptor | 詹森药业有限公司 | 2022-02-01 | — | — | CN | disclosed |