Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2D | O15399 | 9/20 | 0.77 |
| ▸ | GRIN3B | O60391 | 9/20 | 0.77 |
| ▸ | GRIN1 | Q05586 | 9/20 | 0.77 |
| ▸ | GRIN2A | Q12879 | 9/20 | 0.77 |
| ▸ | GRIN2B | Q13224 | 9/20 | 0.77 |
| ▸ | GRIN2C | Q14957 | 9/20 | 0.77 |
| ▸ | GRIN3A | Q8TCU5 | 9/20 | 0.77 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.65 |
| ▸ | ADRA1D | P25100 | 4/20 | 0.65 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.65 |
| ▸ | ADRA1B | P35368 | 4/20 | 0.65 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.53 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.49 |
| ▸ | KDR | P35968 | 1/20 | 0.49 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL6439670 | 0.87 | GRIN2D (1.00) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL7172490 | 0.80 | GRIN2D (1.00) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL6440388 | 0.79 | GRIN2D (1.00) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL6440031 | 0.78 | GRIN2D (0.81) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL3793530 | 0.78 | PTPN11 (0.58) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL6441403 | 0.76 | GRIN2D (1.00) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL6440024 | 0.76 | GRIN2D (1.00) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL6439697 | 0.76 | GRIN2D (0.74) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL3788726 | 0.72 | GRIN2D (0.54) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL3785605 | 0.72 | RAB9A (0.58) | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1448547-B1 | PYRIDINE DERIVATIVES AS NMDA RECEPTOR LIGANDS | HOFFMANN LA ROCHE (CH) | 2005-04-20 | — | — | EP | disclosed |
| 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 | disclosed |
| EP-1448547-A1 | PYRIDINE DERIVATIVES AS NMDA RECEPTOR LIGANDS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-08-25 | — | — | EP | disclosed |
| US-20030119870-A1 | Pyridine substituted isoquinoline derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2003-06-26 | — | — | US | disclosed |
| WO-2003040128-A1 | PYRIDINE DERIVATIVES AS NMDA RECEPTOR LIGANDS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-05-15 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030119870-A1 | Pyridine substituted isoquinoline derivatives | GRIN1, GRIN2C, GRIN2A | GRIN2D 8/4885GRIN3B 6/4885GRIN1 1/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.