Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 16/20 | 0.52 |
| ▸ | GRIN1 | Q05586 | 16/20 | 0.52 |
| ▸ | GRIN2B | Q13224 | 16/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.52 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.50 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28266360 | 0.84 | NOTUM (0.60) | RXRAGRIN1GRIN2BKCNH2NOTUM | |
| SCHEMBL28267973 | 0.78 | NOTUM (0.56) | RXRAGRIN1GRIN2BKCNH2NOTUM | |
| SCHEMBL30538076 | 0.77 | NOTUM (0.63) | RXRAGRIN1GRIN2BKCNH2NOTUM | |
| SCHEMBL28609240 | 0.77 | RXRA (0.66) | RXRAGRIN1GRIN2BKCNH2 | |
| SCHEMBL28071272 | 0.76 | NOTUM (0.58) | RXRAGRIN1GRIN2BNOTUMKEAP1 | |
| SCHEMBL28266300 | 0.75 | RXRA (0.48) | RXRAGRIN1GRIN2BKCNH2 | |
| SCHEMBL16787394 | 0.73 | NOTUM (0.58) | RXRAGRIN1GRIN2BKCNH2NOTUM | |
| SCHEMBL19211460 | 0.71 | RXRA (0.68) | RXRAGRIN1GRIN2BKCNH2 | |
| SCHEMBL19211484 | 0.71 | RXRA (0.72) | RXRAGRIN1GRIN2BKCNH2 | |
| SCHEMBL21792323 | 0.71 | NOTUM (0.70) | RXRAGRIN1GRIN2BNOTUMKEAP1 |
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-109071488-A | Substituted 1,2,3- triazole is as NR2B- selective NMDA regulator | 詹森药业有限公司 | 2018-12-21 | — | — | CN | disclosed |