Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.56 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.48 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.48 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.48 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.48 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.48 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.48 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.48 |
| ▸ | NCF1 | P14598 | 5/20 | 0.47 |
| ▸ | GBA1 | P04062 | 1/20 | 0.46 |
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | EED | O75530 | 1/20 | 0.43 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6159158 | 0.90 | EGFR (0.50) | SMN1; SMN2ASIC3NCF1EGFR | |
| SCHEMBL6158483 | 0.86 | NCF1 (0.64) | ASIC3GRIN2DGRIN3BGRIN1GRIN2A | |
| Hydrochloric Acid SCHEMBL6158550 | 0.82 | ASIC3 (0.76) | SMN1; SMN2ASIC3GRIN2DGRIN3BGRIN1 | |
| SCHEMBL6534257 | 0.78 | GRIN2D (0.60) | SMN1; SMN2GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL3641040 | 0.76 | GBA1 (0.59) | SMN1; SMN2GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL6159581 | 0.75 | NUDT1 (0.63) | ASIC3GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL4733419 | 0.75 | NCF1 (0.74) | SMN1; SMN2NCF1MAPT | |
| SCHEMBL31201546 | 0.75 | EED (0.46) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL27613419 | 0.75 | NCF1 (0.74) | NCF1MAPTLMNA | |
| Hydrochloric Acid SCHEMBL6158514 | 0.74 | GRIN2D (0.65) | ASIC3GRIN2DGRIN3BGRIN1GRIN2A |
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 | disclosed |
| EP-1088818-B1 | Quinolin-4-yl derivatives | HOFFMANN LA ROCHE (CH) | 2004-11-03 | — | — | EP | disclosed |
| US-6440995-B1 | NMDA-RECEPTOR SUBTYPE SELECTIVE BLOCKERS | HOFFMAN-LA ROCHE INC. | 2002-08-27 | — | — | US | 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 |
| EP-1088818-A1 | Quinolin-4-yl derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2001-04-04 | — | — | EP | disclosed |