Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 10/20 | 0.74 |
| ▸ | GRIN2B | Q13224 | 10/20 | 0.74 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5235290 | 0.92 | GRIN1 (0.62) | GRIN1GRIN2BALDH1A1GAA | |
| SCHEMBL5235300 | 0.92 | GRIN1 (0.62) | GRIN1GRIN2BALDH1A1GAA | |
| SCHEMBL5235309 | 0.92 | GRIN1 (0.62) | GRIN1GRIN2BALDH1A1GAA | |
| SCHEMBL8318042 | 0.85 | GRIN1 (1.00) | GRIN1GRIN2B | |
| SCHEMBL6001498 | 0.82 | GRIN2B (0.61) | GRIN1GRIN2BGAAPKMTSHR | |
| SCHEMBL6001504 | 0.82 | GRIN2B (0.61) | GRIN1GRIN2BGAAPKMTSHR | |
| SCHEMBL6001501 | 0.82 | GRIN2B (0.61) | GRIN1GRIN2BGAAPKMTSHR | |
| SCHEMBL5269544 | 0.77 | GRIN1 (0.84) | GRIN1GRIN2B | |
| SCHEMBL8313704 | 0.75 | GRIN1 (1.00) | GRIN1GRIN2B | |
| SCHEMBL8313723 | 0.74 | GRIN1 (1.00) | GRIN1GRIN2BGAAPKMTSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004048364-A1 | 2-[(4-BENZYL)-1-PIPERIDINYL)METHYL]BENZIMIDAZOLE-5-OL DERIVATIVES AS NR2B RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2004-06-10 | — | — | WO | disclosed |