Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 20/20 | 0.90 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.65 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.65 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL18363293 | 0.95 | GRIN2B (1.00) | GRIN2BCYP2C9CYP2C19GRIN1KCNH2 | |
| SCHEMBL18363296 | 0.89 | GRIN2B (1.00) | GRIN2BCYP2C9CYP2C19GRIN1KCNH2 | |
| Trifluoroacetic Acid SCHEMBL21611135 | 0.88 | GRIN2B (0.91) | GRIN2B | |
| SCHEMBL18363299 | 0.87 | GRIN2B (1.00) | GRIN2B | |
| Trifluoroacetic Acid SCHEMBL21611127 | 0.87 | GRIN2B (0.91) | GRIN2B | |
| Trifluoroacetic Acid SCHEMBL28511611 | 0.85 | GRIN2B (0.90) | GRIN2BCYP2C9CYP2C19GRIN1KCNH2 | |
| SCHEMBL18363493 | 0.83 | GRIN2B (1.00) | GRIN2BCYP2C9CYP2C19GRIN1KCNH2 | |
| SCHEMBL18363298 | 0.83 | GRIN2B (1.00) | GRIN2B | |
| SCHEMBL18363300 | 0.82 | GRIN2B (1.00) | GRIN2B | |
| SCHEMBL18363213 | 0.81 | GRIN2B (1.00) | GRIN2BCYP2C9CYP2C19GRIN1KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3319963-B1 | SUBSTITUTED 4-AZAINDOLES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2020-01-08 | — | — | EP | disclosed |