Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 14/20 | 0.80 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.80 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.80 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.55 |
| ▸ | NPC1 | O15118 | 2/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | FAAH | O00519 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL5348026 | 0.89 | GRIN2B (1.00) | GRIN2BCYP2D6CYP2C9CYP3A4SMN1; SMN2 | |
| SCHEMBL6654650 | 0.82 | SMN1; SMN2 (0.62) | GRIN2BCYP2D6CYP2C9CYP3A4SMN1; SMN2 | |
| SCHEMBL15140566 | 0.81 | SMN1; SMN2 (0.72) | GRIN2BCYP2D6CYP2C9CYP3A4SMN1; SMN2 | |
| SCHEMBL7096292 | 0.81 | GRIN2B (0.52) | GRIN2BCYP2D6CYP2C9CYP3A4SMN1; SMN2 | |
| SCHEMBL2476561 | 0.80 | ENPP2 (0.70) | GRIN2BCYP2D6CYP2C9CYP3A4SMN1; SMN2 | |
| SCHEMBL5360070 | 0.80 | GRIN2B (0.66) | GRIN2BCYP2D6CYP2C9CYP3A4SMN1; SMN2 | |
| SCHEMBL6535858 | 0.80 | GPR119 (0.57) | GRIN2BCYP2D6CYP2C9 | |
| SCHEMBL8764844 | 0.80 | HTT (0.60) | GRIN2BCYP2D6CYP2C9CYP3A4SMN1; SMN2 | |
| SCHEMBL5359234 | 0.79 | GRIN2B (0.77) | GRIN2BCYP2D6CYP2C9CYP3A4 | |
| SCHEMBL5352178 | 0.79 | GRIN2B (0.74) | GRIN2BCYP2D6CYP2C9CYP3A4SMN1; SMN2 |
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 |