Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 19/20 | 0.48 |
| ▸ | GRIN1 | Q05586 | 19/20 | 0.48 |
| ▸ | GRIN2B | Q13224 | 19/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28266374 | 0.84 | RXRA (0.48) | RXRAGRIN1GRIN2BKCNH2 | |
| SCHEMBL28266364 | 0.84 | GRIN1 (0.50) | RXRAGRIN1GRIN2BKCNH2 | |
| SCHEMBL28266353 | 0.79 | RXRA (0.43) | RXRAGRIN1GRIN2BKCNH2 | |
| SCHEMBL28266286 | 0.78 | RXRA (0.38) | RXRAGRIN1GRIN2BKCNH2 | |
| SCHEMBL28267917 | 0.77 | ALDH1A1 (0.44) | RXRAGRIN1GRIN2B | |
| SCHEMBL28266299 | 0.77 | RXRA (0.47) | RXRAGRIN1GRIN2B | |
| SCHEMBL28266475 | 0.75 | RXRA (0.52) | RXRAGRIN1GRIN2BKCNH2 | |
| SCHEMBL28266344 | 0.72 | RXRA (0.44) | RXRAGRIN1GRIN2B | |
| SCHEMBL19211460 | 0.70 | RXRA (0.68) | RXRAGRIN1GRIN2BKCNH2 | |
| SCHEMBL19211484 | 0.70 | RXRA (0.72) | RXRAGRIN1GRIN2BKCNH2 |
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 3 patents. 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 | claimed |
| CN-109071488-B | Substituted 1,2, 3-triazoles as NR 2B-selective NMDA modulators | 詹森药业有限公司 | 2021-08-13 | — | — | CN | disclosed |
| 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 |