Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 20/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL4449600 | 0.85 | GRIN2B (0.51) | GRIN2BCYP2D6KCNH2 | |
| SCHEMBL4322163 | 0.80 | GRIN2B (0.81) | GRIN2BCYP2D6KCNH2 | |
| SCHEMBL5142023 | 0.77 | GRIN2B (0.50) | GRIN2BCYP2D6KCNH2 | |
| SCHEMBL5140908 | 0.71 | GRIN2B (0.74) | GRIN2BCYP2D6KCNH2 | |
| SCHEMBL4309833 | 0.70 | GRIN2B (0.62) | GRIN2BCYP2D6KCNH2 | |
| SCHEMBL4309835 | 0.70 | GRIN2B (0.62) | GRIN2BCYP2D6KCNH2 | |
| SCHEMBL5141039 | 0.70 | GRIN2B (0.63) | GRIN2BCYP2D6KCNH2 | |
| SCHEMBL17583169 | 0.70 | GRIN2B (1.00) | GRIN2BCYP2D6KCNH2 | |
| Hydrochloric Acid SCHEMBL17583178 | 0.69 | GRIN2B (0.98) | GRIN2BCYP2D6KCNH2 | |
| SCHEMBL4310737 | 0.69 | GRIN2B (1.00) | GRIN2BCYP2D6KCNH2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1874318-A2 | N-ALKYL-AZACYCLOALKYL NMDA/NR2B ANTAGONISTS | Merck & Co., Inc. (US) | 2008-01-09 | — | — | EP | disclosed |
| WO-2006113471-A2 | N-ALKYL-AZACYCLOALKYL NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2006-10-26 | — | — | WO | disclosed |