Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2D | O15399 | 2/20 | 0.53 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.53 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.53 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.53 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.53 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.53 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.53 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.49 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.49 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.49 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.46 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.44 |
| ▸ | PRKDC | P78527 | 1/20 | 0.43 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 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 | |
|---|---|---|---|---|
| SCHEMBL6157926 | 1.00 | GRIN2D (0.53) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| Hydrochloric Acid SCHEMBL6158065 | 0.99 | GRIN2D (0.52) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| Hydrochloric Acid SCHEMBL6158069 | 0.99 | GRIN2D (0.52) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL6159350 | 0.90 | ASIC3 (0.51) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL6158043 | 0.90 | ASIC3 (0.51) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| Hydrochloric Acid SCHEMBL6163061 | 0.89 | ASIC3 (0.50) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| Hydrochloric Acid SCHEMBL6163051 | 0.89 | ASIC3 (0.50) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| Hydrochloric Acid SCHEMBL6158514 | 0.86 | GRIN2D (0.65) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL6534183 | 0.83 | GRIN2D (0.74) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL6534181 | 0.83 | GRIN2D (0.74) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1090917-B1 | Quinolin-4-yl derivatives and their use as NMDA-receptor subtype blockers | HOFFMANN LA ROCHE (CH) | 2005-12-21 | — | — | EP | claimed |
| US-6339093-B1 | Isoquinoline derivatives | HOFFMANN-LA ROCHE INC. | 2002-01-15 | — | — | US | claimed |
| EP-1090917-A1 | Quinolin-4-yl derivatives and their use as NMDA-receptor subtype blockers | F. HOFFMANN-LA ROCHE AG (CH) | 2001-04-11 | — | — | EP | claimed |
| EP-1090917-B1 | Quinolin-4-yl derivatives and their use as NMDA-receptor subtype blockers | HOFFMANN LA ROCHE (CH) | 2005-12-21 | — | — | EP | disclosed |
| US-6339093-B1 | Isoquinoline derivatives | HOFFMANN-LA ROCHE INC. | 2002-01-15 | — | — | US | disclosed |
| EP-1090917-A1 | Quinolin-4-yl derivatives and their use as NMDA-receptor subtype blockers | F. HOFFMANN-LA ROCHE AG (CH) | 2001-04-11 | — | — | EP | disclosed |