Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 2/20 | 0.44 |
| ▸ | PAK1 | Q13153 | 10/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | CCR2 | P41597 | 1/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4304015 | 0.86 | PAK1 (0.59) | GRIN2BPAK1CYP2D6KCNH2 | |
| SCHEMBL5140764 | 0.79 | HTR1A (0.47) | GRIN2BROCK2KCNH2 | |
| SCHEMBL5142207 | 0.78 | GRIN2B (0.46) | GRIN2BPAK1ROCK2ROCK1CYP2D6 | |
| SCHEMBL5141563 | 0.77 | GRIN2B (0.54) | GRIN2BROCK2ROCK1CYP2D6KCNH2 | |
| SCHEMBL5167369 | 0.76 | GRIN2B (0.59) | GRIN2BCYP2D6KCNH2 | |
| SCHEMBL5173287 | 0.75 | ROCK2 (0.45) | GRIN2BROCK2ROCK1KCNH2CCR2 | |
| SCHEMBL3769138 | 0.73 | HPGDS (0.60) | ALDH1A1 | |
| SCHEMBL5140908 | 0.73 | GRIN2B (0.74) | GRIN2BCYP2D6KCNH2 | |
| SCHEMBL5140457 | 0.72 | GRIN2B (0.45) | GRIN2BROCK2ROCK1KCNH2CCR2 | |
| SCHEMBL5141039 | 0.71 | GRIN2B (0.63) | 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 |