Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 17/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 17/20 | 0.42 |
| ▸ | RXRA | P19793 | 14/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28266364 | 0.87 | GRIN1 (0.50) | GRIN1GRIN2BRXRACYP1A2CYP3A4 | |
| SCHEMBL28602470 | 0.75 | NOTUM (0.66) | GRIN1GRIN2BRXRACYP1A2CYP3A4 | |
| SCHEMBL28266301 | 0.74 | GRIN1 (0.45) | GRIN1GRIN2BRXRAKCNH2 | |
| SCHEMBL28385244 | 0.72 | KCNH2 (0.40) | GRIN1GRIN2BRXRAKCNH2 | |
| SCHEMBL28266300 | 0.72 | RXRA (0.48) | GRIN1GRIN2BRXRAKCNH2 | |
| SCHEMBL28266374 | 0.71 | RXRA (0.48) | GRIN1GRIN2BRXRAKCNH2 | |
| SCHEMBL28267917 | 0.66 | ALDH1A1 (0.44) | GRIN1GRIN2BRXRA | |
| SCHEMBL28266299 | 0.66 | RXRA (0.47) | GRIN1GRIN2BRXRA | |
| SCHEMBL28266353 | 0.65 | RXRA (0.43) | GRIN1GRIN2BRXRAKCNH2 | |
| SCHEMBL17502279 | 0.65 | RXRA (0.64) | GRIN1GRIN2BRXRAKCNH2 |
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 |