Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 13/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.54 |
| ▸ | TPSAB1 | Q15661 | 2/20 | 0.52 |
| ▸ | TPSD1 | Q9BZJ3 | 2/20 | 0.52 |
| ▸ | TPSG1 | Q9NRR2 | 2/20 | 0.52 |
| ▸ | F2 | P00734 | 1/20 | 0.52 |
| ▸ | PLG | P00747 | 1/20 | 0.52 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.52 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.52 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | JAK2 | O60674 | 1/20 | 0.45 |
| ▸ | JAK1 | P23458 | 1/20 | 0.45 |
| ▸ | TYK2 | P29597 | 1/20 | 0.45 |
| ▸ | JAK3 | P52333 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5351078 | 0.85 | GRIN2B (0.63) | GRIN2BCYP2D6CYP2C9CYP3A4 | |
| SCHEMBL5366659 | 0.80 | GRIN2B (0.58) | GRIN2BCYP2D6CYP2C9CYP3A4TPSAB1 | |
| SCHEMBL5353306 | 0.80 | GRIN2B (0.56) | GRIN2BCYP2D6CYP2C9CYP3A4SMN1; SMN2 | |
| SCHEMBL5367675 | 0.80 | GRIN2B (0.57) | GRIN2BCYP2D6CYP2C9CYP3A4TPSAB1 | |
| SCHEMBL14425185 | 0.79 | HDAC6 (0.45) | CYP2C19 | |
| SCHEMBL5365156 | 0.79 | GRIN2B (0.61) | GRIN2BCYP2D6CYP2C9CYP3A4TPSAB1 | |
| SCHEMBL5368102 | 0.78 | GRIN2B (0.72) | GRIN2BCYP2D6CYP2C9CYP3A4TPSAB1 | |
| SCHEMBL5375153 | 0.78 | GRIN2B (0.63) | GRIN2BCYP2D6CYP2C9CYP3A4TPSAB1 | |
| SCHEMBL5361013 | 0.78 | GRIN2B (0.60) | GRIN2BCYP2D6CYP2C9CYP3A4TPSAB1 | |
| SCHEMBL5366902 | 0.78 | TPSAB1 (0.72) | GRIN2BCYP2D6CYP2C9CYP3A4TPSAB1 |
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 |