Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 20/20 | 0.76 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.76 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.76 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.68 |
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 | |
|---|---|---|---|---|
| SCHEMBL5349493 | 0.89 | GRIN2B (0.74) | GRIN2BCYP2D6CYP2C9CYP3A4 | |
| SCHEMBL5353983 | 0.88 | GRIN2B (0.73) | GRIN2BCYP2D6CYP2C9CYP3A4 | |
| SCHEMBL5348026 | 0.86 | GRIN2B (1.00) | GRIN2BCYP2D6CYP2C9CYP3A4 | |
| SCHEMBL5366037 | 0.85 | GRIN2B (0.69) | GRIN2BCYP2D6CYP2C9CYP3A4 | |
| SCHEMBL5348017 | 0.85 | GRIN2B (0.69) | GRIN2BCYP2D6CYP2C9CYP3A4 | |
| SCHEMBL5351034 | 0.85 | GRIN2B (0.68) | GRIN2BCYP2D6CYP2C9CYP3A4 | |
| SCHEMBL6535871 | 0.84 | ENPP2 (0.62) | GRIN2BCYP2D6CYP2C9CYP3A4 | |
| SCHEMBL5351437 | 0.83 | GRIN2B (0.78) | GRIN2BCYP2D6CYP2C9CYP3A4 | |
| SCHEMBL5367683 | 0.83 | GRIN2B (1.00) | GRIN2BCYP2D6CYP2C9CYP3A4 | |
| SCHEMBL5357717 | 0.81 | GRIN2B (0.73) | GRIN2BCYP2D6CYP2C9CYP3A4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1399160-A4 | NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES | MERCK & CO INC (US) | 2004-08-25 | — | — | EP | disclosed |
| EP-1399160-A2 | NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES | Merck & Co., Inc. (US) | 2004-03-24 | — | — | EP | disclosed |
| EP-1379520-A1 | N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS | Merck & Co., Inc. (US) | 2004-01-14 | — | — | EP | disclosed |
| WO-2002100352-A2 | NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES | MERCK & CO., INC. (US) | 2002-12-19 | — | — | WO | disclosed |
| WO-2002068409-A1 | N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2002-09-06 | — | — | WO | disclosed |