Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 1/20 | 0.63 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.57 |
| ▸ | NCF1 | P14598 | 1/20 | 0.57 |
| ▸ | GRIN2D | O15399 | 6/20 | 0.53 |
| ▸ | GRIN3B | O60391 | 6/20 | 0.53 |
| ▸ | GRIN1 | Q05586 | 6/20 | 0.53 |
| ▸ | GRIN2A | Q12879 | 6/20 | 0.53 |
| ▸ | GRIN2B | Q13224 | 6/20 | 0.53 |
| ▸ | GRIN2C | Q14957 | 6/20 | 0.53 |
| ▸ | GRIN3A | Q8TCU5 | 6/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.50 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.50 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.50 |
| ▸ | EED | O75530 | 2/20 | 0.50 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | GBA1 | P04062 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6162260 | 0.98 | NUDT1 (0.61) | NUDT1ADRB2NCF1GRIN2DGRIN3B | |
| SCHEMBL6159615 | 0.89 | NCF1 (0.61) | NUDT1ADRB2NCF1GRIN2DGRIN3B | |
| Hydrochloric Acid SCHEMBL6159074 | 0.87 | NCF1 (0.59) | NUDT1ADRB2NCF1GRIN2DGRIN3B | |
| Hydrochloric Acid SCHEMBL6161074 | 0.83 | NUDT1 (0.54) | NUDT1ADRB2NCF1GRIN2DGRIN3B | |
| Hydrochloric Acid SCHEMBL6158505 | 0.83 | NUDT1 (0.54) | NUDT1GRIN2DGRIN3BGRIN1GRIN2A | |
| Hydrochloric Acid SCHEMBL6159806 | 0.83 | PKM (0.61) | NUDT1ADRB2NCF1CHRM1KCNH2 | |
| Hydrochloric Acid SCHEMBL6158538 | 0.83 | GRIN2D (0.59) | NUDT1GRIN2DGRIN3BGRIN1GRIN2A | |
| Hydrochloric Acid SCHEMBL6159628 | 0.80 | NUDT1 (0.51) | NUDT1NCF1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL6126024 | 0.79 | NCF1 (0.51) | NUDT1ADRB2NCF1KCNH2GBA1 | |
| SCHEMBL21381376 | 0.79 | KDR (0.45) | NUDT1ADRB2NCF1KCNH2 |
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 |