Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 13/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | PAK1 | Q13153 | 6/20 | 0.53 |
| ▸ | HPGDS | O60760 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL8256381 | 1.00 | GRIN2B (0.57) | GRIN2BKCNH2CYP2D6PAK1HPGDS | |
| SCHEMBL4312440 | 0.87 | GRIN2B (0.57) | GRIN2BKCNH2CYP2D6PAK1HPGDS | |
| SCHEMBL14010343 | 0.82 | HPGDS (0.49) | GRIN2BKCNH2CYP2D6PAK1HPGDS | |
| SCHEMBL5006285 | 0.82 | HPGDS (0.49) | GRIN2BKCNH2CYP2D6PAK1HPGDS | |
| SCHEMBL5006282 | 0.82 | HPGDS (0.49) | GRIN2BKCNH2CYP2D6PAK1HPGDS | |
| SCHEMBL5007384 | 0.82 | HPGDS (0.49) | GRIN2BKCNH2CYP2D6PAK1HPGDS | |
| SCHEMBL5007376 | 0.82 | HPGDS (0.49) | GRIN2BKCNH2CYP2D6PAK1HPGDS | |
| SCHEMBL14010338 | 0.82 | HPGDS (0.49) | GRIN2BKCNH2CYP2D6PAK1HPGDS | |
| SCHEMBL4308430 | 0.81 | GRIN2B (0.60) | GRIN2BKCNH2CYP2D6PAK1HPGDS | |
| SCHEMBL4317078 | 0.77 | GRIN2B (0.74) | GRIN2BKCNH2CYP2D6 |
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 |