Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.51 |
| ▸ | GRIN2B | Q13224 | 10/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.43 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.42 |
| ▸ | VNN1 | O95497 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5351371 | 0.93 | GRIN2B (0.52) | SIGMAR1GRIN2BHRH3VNN1 | |
| SCHEMBL5352837 | 0.91 | GRIN2B (0.60) | SIGMAR1GRIN2B | |
| SCHEMBL5351992 | 0.88 | SIGMAR1 (0.59) | SIGMAR1GRIN2BHRH3 | |
| SCHEMBL5355769 | 0.85 | GRIN2B (0.60) | SIGMAR1GRIN2BHRH3 | |
| SCHEMBL5778248 | 0.84 | SIGMAR1 (0.51) | SIGMAR1GRIN2BHRH3 | |
| SCHEMBL5345695 | 0.84 | SIGMAR1 (0.51) | SIGMAR1GRIN2BHRH3 | |
| Hydrochloric Acid SCHEMBL5356897 | 0.83 | SIGMAR1 (0.50) | SIGMAR1GRIN2BHRH3 | |
| SCHEMBL5347589 | 0.83 | SIGMAR1 (0.50) | SIGMAR1GRIN2BHRH3HCRTR1VNN1 | |
| SCHEMBL5352378 | 0.83 | SIGMAR1 (0.50) | SIGMAR1GRIN2BHRH3HCRTR1VNN1 | |
| SCHEMBL14502230 | 0.83 | SIGMAR1 (0.50) | SIGMAR1GRIN2BHRH3HCRTR1VNN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7217716-B2 | N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists | MERCK & CO., INC. (US) | 2007-05-15 | — | — | US | disclosed |
| US-7217716-B2 | N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists | MERCK & CO., INC. (US) | 2007-05-15 | — | — | US | disclosed |
| US-7217716-B2 | N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists | MERCK & CO., INC. (US) | 2007-05-15 | — | — | US | disclosed |
| US-7053089-B2 | N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists | MERCK & CO., INC. (US) | 2006-05-30 | — | — | US | disclosed |
| EP-1379520-B1 | N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS | MERCK & CO INC (US) | 2006-04-26 | — | — | EP | disclosed |