Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2D | O15399 | 14/20 | 1.00 |
| ▸ | GRIN3B | O60391 | 14/20 | 1.00 |
| ▸ | GRIN1 | Q05586 | 14/20 | 1.00 |
| ▸ | GRIN2A | Q12879 | 14/20 | 1.00 |
| ▸ | GRIN2B | Q13224 | 14/20 | 1.00 |
| ▸ | GRIN2C | Q14957 | 14/20 | 1.00 |
| ▸ | GRIN3A | Q8TCU5 | 14/20 | 1.00 |
| ▸ | CHRM1 | P11229 | 6/20 | 0.62 |
| ▸ | ADRA1D | P25100 | 6/20 | 0.62 |
| ▸ | ADRA1A | P35348 | 6/20 | 0.62 |
| ▸ | ADRA1B | P35368 | 6/20 | 0.62 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | NPC1 | O15118 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL17191285 | 0.89 | GRIN2D (0.79) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL3784066 | 0.82 | GRIN2D (0.67) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL30018676 | 0.81 | GRIN2D (1.00) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL6443179 | 0.77 | GRIN2D (1.00) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL20004240 | 0.77 | GRIN2D (1.00) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL2846517 | 0.77 | GRIN2D (0.62) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL6440928 | 0.77 | GRIN2D (1.00) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| Ammonia Solution, Strong SCHEMBL7049390 | 0.76 | GRIN2D (0.97) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL12218463 | 0.76 | MEN1 (0.64) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL21424864 | 0.75 | GRIN2D (0.59) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6831087-B2 | 2-(Pyrid-2- or 4-yl)-1,2,3,4-tetrahydroisoquinoline and derivatives; a good affinity to the NMDA receptor (N-methyl-D-asparate); acute/cronic neurodegenerative diseases; bacterial/viral infections; antidepressants; analgesics | HOFFMANN-LA ROCHE INC. | 2004-12-14 | — | — | US | claimed |