Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 3/20 | 0.49 |
| ▸ | NOS1 | P29475 | 3/20 | 0.49 |
| ▸ | NOS2 | P35228 | 3/20 | 0.49 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.45 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | GSK3A | P49840 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4051128 | 0.86 | NOS3 (0.48) | NOS3NOS1NOS2CYP11B1CYP11B2 | |
| SCHEMBL4052457 | 0.85 | NOS3 (0.63) | NOS3NOS1NOS2CYP11B1CYP11B2 | |
| SCHEMBL13607915 | 0.83 | CYP11B1 (0.45) | CYP11B1CYP11B2GRIN1GRIN2BLMNA | |
| SCHEMBL4055464 | 0.83 | AURKA (0.60) | SMN1; SMN2AURKANPC1RAB9AALDH1A1 | |
| SCHEMBL4051416 | 0.83 | NOS3 (0.55) | NOS3NOS1NOS2GRIN1GRIN2B | |
| SCHEMBL4062462 | 0.78 | NOS3 (0.48) | NOS3NOS1NOS2CYP11B1GRIN1 | |
| SCHEMBL4057348 | 0.78 | NOS3 (0.48) | NOS3NOS1NOS2GRIN1GRIN2B | |
| SCHEMBL4058742 | 0.78 | GRIN1 (0.55) | NOS3NOS1NOS2GRIN1GRIN2B | |
| SCHEMBL4053861 | 0.78 | AURKA (0.59) | NOS3NOS1NOS2SMN1; SMN2AURKA | |
| SCHEMBL4061118 | 0.76 | SMN1; SMN2 (0.63) | NOS3NOS1NOS2GRIN1GRIN2B |
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 | NOS3 907/4885NOS1 879/4885NOS2 1019/4885 |
“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.