Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 8/20 | 0.47 |
| ▸ | HTR7 | P34969 | 8/20 | 0.47 |
| ▸ | KDM1A | O60341 | 4/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.45 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | CDK1 | P06493 | 1/20 | 0.43 |
| ▸ | CDK4 | P11802 | 1/20 | 0.43 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.43 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | CCND3 | P30281 | 1/20 | 0.43 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 3/20 | 0.42 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4313437 | 0.85 | GRIN2B (0.58) | GRIN2BKCNH2 | |
| SCHEMBL5140457 | 0.81 | GRIN2B (0.45) | GRIN2BSIGMAR1ROCK2KCNH2 | |
| SCHEMBL5142207 | 0.79 | GRIN2B (0.46) | GRIN2BROCK2KCNH2 | |
| SCHEMBL5140958 | 0.79 | GRIN2B (0.44) | GRIN2BROCK2KCNH2 | |
| SCHEMBL5141563 | 0.77 | GRIN2B (0.54) | GRIN2BROCK2KCNH2 | |
| SCHEMBL13633473 | 0.77 | HTR1A (0.54) | HTR1AHTR7KDM1ATMEM97SIGMAR1 | |
| SCHEMBL5167369 | 0.77 | GRIN2B (0.59) | GRIN2BKCNH2 | |
| SCHEMBL13633424 | 0.76 | HTR1A (0.52) | HTR1AHTR7KDM1ATMEM97SIGMAR1 | |
| SCHEMBL5173287 | 0.74 | ROCK2 (0.45) | GRIN2BDRD2ROCK2KCNH2DRD3 | |
| SCHEMBL3769138 | 0.73 | HPGDS (0.60) | CDK1CDK4CCNA2CCNE1CDK2 |
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 |