Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 7/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | AGTR2 | P50052 | 7/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.40 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.40 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.40 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.40 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.40 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14502203 | 0.83 | GRIN2B (0.70) | GRIN2BCYP2D6CYP2C9CYP3A4POLB | |
| Hydrochloric Acid SCHEMBL5351678 | 0.82 | GRIN2B (0.69) | GRIN2BCYP2D6CYP2C9CYP3A4POLB | |
| Hydrochloric Acid SCHEMBL5351682 | 0.82 | GRIN2B (0.69) | GRIN2BCYP2D6CYP2C9CYP3A4POLB | |
| SCHEMBL5352178 | 0.77 | GRIN2B (0.74) | GRIN2BCYP2D6CYP2C9CYP3A4POLB | |
| SCHEMBL5353155 | 0.77 | GRIN2B (0.74) | GRIN2BCYP2D6CYP2C9CYP3A4POLB | |
| SCHEMBL5353147 | 0.77 | GRIN2B (0.74) | GRIN2BCYP2D6CYP2C9CYP3A4POLB | |
| SCHEMBL6635634 | 0.77 | ADORA1 (0.43) | GRIN2BCYP2D6CYP2C9CYP3A4AGTR2 | |
| SCHEMBL5348026 | 0.76 | GRIN2B (1.00) | GRIN2BCYP2D6CYP2C9CYP3A4SMN1; SMN2 | |
| SCHEMBL25125018 | 0.75 | HTR2C (0.61) | AGTR2SMN1; SMN2NPC1RAB9AHTR2C | |
| SCHEMBL25215518 | 0.75 | AGTR2 (0.56) | AGTR2SMN1; SMN2NPC1RAB9AHTR2C |
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-1379520-A1 | N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS | Merck & Co., Inc. (US) | 2004-01-14 | — | — | EP | disclosed |
| WO-2002068409-A1 | N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2002-09-06 | — | — | WO | disclosed |