Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 18/20 | 0.57 |
| ▸ | GRIN2B | Q13224 | 18/20 | 0.57 |
| ▸ | RXRA | P19793 | 15/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL20988374 | 0.84 | RXRA (0.56) | GRIN1GRIN2BRXRAKCNH2 | |
| SCHEMBL17502278 | 0.82 | GRIN1 (0.60) | GRIN1GRIN2BRXRACYP1A2CYP3A4 | |
| SCHEMBL17502279 | 0.82 | RXRA (0.64) | GRIN1GRIN2BRXRAKCNH2 | |
| SCHEMBL19211426 | 0.81 | GRIN1 (0.71) | GRIN1GRIN2BRXRACYP1A2CYP3A4 | |
| SCHEMBL28606037 | 0.79 | NOTUM (0.59) | GRIN1GRIN2BRXRAKCNH2 | |
| SCHEMBL19220683 | 0.79 | GRIN1 (0.73) | GRIN1GRIN2BRXRACYP1A2CYP3A4 | |
| SCHEMBL19211446 | 0.79 | GRIN1 (0.72) | GRIN1GRIN2BRXRACYP1A2CYP3A4 | |
| SCHEMBL19211356 | 0.78 | RXRA (0.69) | GRIN1GRIN2BRXRAKCNH2 | |
| SCHEMBL19211554 | 0.78 | RXRA (0.69) | GRIN1GRIN2BRXRAKCNH2 | |
| SCHEMBL19211355 | 0.78 | RXRA (0.69) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-3414233-A1 | SUBSTITUTED 1,2,3-TRIAZOLES AS NR2B-SELECTIVE NMDA MODULATORS | Janssen Pharmaceutica NV (BE) | 2018-12-19 | — | — | EP | disclosed |
| WO-2017139428-A1 | SUBSTITUTED 1,2,3-TRIAZOLES AS NR2B-SELECTIVE NMDA MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2017-08-17 | — | — | WO | disclosed |