Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 2/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | PKM | P14618 | 1/20 | 0.57 |
| ▸ | F2 | P00734 | 4/20 | 0.56 |
| ▸ | PRSS1 | P07477 | 4/20 | 0.56 |
| ▸ | PRSS2 | P07478 | 4/20 | 0.56 |
| ▸ | PRSS3 | P35030 | 4/20 | 0.56 |
| ▸ | TPSAB1 | Q15661 | 4/20 | 0.56 |
| ▸ | TPSD1 | Q9BZJ3 | 4/20 | 0.56 |
| ▸ | TPSG1 | Q9NRR2 | 4/20 | 0.56 |
| ▸ | PLG | P00747 | 2/20 | 0.56 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.48 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | NAMPT | P43490 | 5/20 | 0.46 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5359891 | 0.88 | GRIN2B (0.61) | GRIN2BKDM4EPKMF2PRSS1 | |
| SCHEMBL5360921 | 0.85 | GRIN2B (0.60) | GRIN2BKDM4EPKMF2PRSS1 | |
| SCHEMBL5371163 | 0.84 | GRIN2B (0.61) | GRIN2BKDM4EPKMF2PRSS1 | |
| SCHEMBL5366681 | 0.83 | GRIN2B (0.58) | GRIN2BKDM4EPKMF2PRSS1 | |
| SCHEMBL5375092 | 0.82 | GRIN2B (0.62) | GRIN2BKDM4EPKMF2PRSS1 | |
| SCHEMBL5378251 | 0.80 | GRIN2B (0.59) | GRIN2BKDM4EPKMF2PRSS1 | |
| SCHEMBL5368503 | 0.80 | GRIN2B (0.61) | GRIN2BKDM4EPKMF2PRSS1 | |
| SCHEMBL5370580 | 0.79 | KMT2A (0.58) | GRIN2BKDM4EPKMF2PRSS1 | |
| SCHEMBL5378288 | 0.76 | TPSAB1 (0.66) | GRIN2BKDM4EPKMF2PRSS1 | |
| SCHEMBL5363970 | 0.76 | GRIN2B (0.74) | GRIN2BCYP2D6CYP2C9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7259157-B2 | N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists | MERCK & CO., INC. (US) | 2007-08-21 | — | — | US | disclosed |
| US-7259157-B2 | N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists | MERCK & CO., INC. (US) | 2007-08-21 | — | — | US | disclosed |
| US-7259157-B2 | N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists | MERCK & CO., INC. (US) | 2007-08-21 | — | — | US | disclosed |