Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 5/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 5/20 | 0.40 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | PHGDH | O43175 | 1/20 | 0.32 |
| ▸ | P4HB | P07237 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | CASP6 | P55212 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | CASP3 | P42574 | 1/20 | 0.31 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.31 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.31 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.31 |
| ▸ | FBP1 | P09467 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL28825623 | 0.85 | GRIN1 (0.40) | NFE2L2GRIN1GRIN2BRXRAP4HB | |
| SCHEMBL28825516 | 0.85 | ALOX5 (0.42) | NFE2L2P4HBTDP1NPC1 | |
| SCHEMBL28949550 | 0.83 | GRIN1 (0.39) | NFE2L2GRIN1GRIN2BRXRAP4HB | |
| SCHEMBL28825569 | 0.76 | NFE2L2 (0.46) | NFE2L2P4HBNPC1FBP1 | |
| SCHEMBL28825598 | 0.75 | GRIN2B (0.41) | NFE2L2GRIN1GRIN2BRXRASLC22A12 | |
| SCHEMBL28825497 | 0.73 | GRIN1 (0.40) | NFE2L2GRIN1GRIN2BRXRAKCNH2 | |
| SCHEMBL28825638 | 0.70 | NFE2L2 (0.49) | NFE2L2GRIN1GRIN2B | |
| SCHEMBL15491237 | 0.69 | HCAR2 (0.38) | GRIN1GRIN2BSLC22A12 | |
| SCHEMBL7969830 | 0.69 | TP53 (0.43) | GRIN1GRIN2BHTTTP53TDP1 | |
| SCHEMBL1111336 | 0.69 | ALDH1A1 (0.45) | NFE2L2HTTP4HBFBP1 |
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 |