Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 12/20 | 0.55 |
| ▸ | GRIN2B | Q13224 | 12/20 | 0.55 |
| ▸ | NOS3 | P29474 | 1/20 | 0.48 |
| ▸ | NOS1 | P29475 | 1/20 | 0.48 |
| ▸ | NOS2 | P35228 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.43 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.41 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.41 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.41 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 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 | |
|---|---|---|---|---|
| SCHEMBL4051416 | 0.87 | NOS3 (0.55) | GRIN1GRIN2BNOS3NOS1NOS2 | |
| SCHEMBL4052457 | 0.85 | NOS3 (0.63) | GRIN1GRIN2BNOS3NOS1NOS2 | |
| SCHEMBL13607933 | 0.84 | GRIN1 (0.55) | GRIN1GRIN2BNR1H4 | |
| SCHEMBL4059872 | 0.83 | AURKA (0.61) | GRIN1GRIN2BNR1H4AURKA | |
| SCHEMBL4050873 | 0.79 | AURKA (0.58) | GRIN1GRIN2BNOS3NOS1NOS2 | |
| SCHEMBL4051128 | 0.78 | NOS3 (0.48) | GRIN1GRIN2BNOS3NOS1NOS2 | |
| SCHEMBL4050460 | 0.78 | NOS3 (0.49) | GRIN1GRIN2BNOS3NOS1NOS2 | |
| SCHEMBL4050809 | 0.77 | NOS3 (0.64) | GRIN1GRIN2BNOS3NOS1NOS2 | |
| SCHEMBL4056950 | 0.76 | GRIN1 (0.52) | GRIN1GRIN2BNOS3NOS1NOS2 | |
| SCHEMBL4057348 | 0.76 | NOS3 (0.48) | GRIN1GRIN2BNOS3NOS1NOS2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7622479-B2 | Bicyclic derivative, its production and use | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-11-24 | — | — | US | disclosed |
| US-20050101647-A1 | Bicyclic derivative, its production and use | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-05-12 | — | — | US | disclosed |
| EP-1460067-A1 | BICYCLIC DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE | Takeda Chemical Industries, Ltd. (JP) | 2004-09-22 | — | — | EP | 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-20050101647-A1 | Bicyclic derivative, its production and use | ABL1, SRC, PTK2B | GRIN1 3175/4885GRIN2B 1116/4885NOS3 907/4885 |
“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.