Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.34 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.34 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.34 |
| ▸ | ALPL | P05186 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.34 |
| ▸ | MAOA | P21397 | 3/20 | 0.33 |
| ▸ | MAOB | P27338 | 3/20 | 0.33 |
| ▸ | NISCH | Q9Y2I1 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.33 |
| ▸ | AXL | P30530 | 1/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4053712 | 0.85 | NOS3 (0.52) | NOS3NOS1NOS2ADORA2AADORA1 | |
| SCHEMBL13608690 | 0.83 | AXL (0.38) | ADORA2AADORA1ADORA3ADORA2BALPL | |
| SCHEMBL4054333 | 0.81 | GAA (0.43) | NOS3NOS1NOS2PDE10AALDH1A1 | |
| SCHEMBL4060650 | 0.80 | NOS3 (0.49) | NOS3NOS1NOS2ADORA2AADORA1 | |
| SCHEMBL4055225 | 0.79 | NOS1 (0.42) | NOS3NOS1NOS2ADORA2APDE10A | |
| SCHEMBL4051951 | 0.79 | SMN1; SMN2 (0.47) | NOS3NOS1NOS2IKBKETBK1 | |
| SCHEMBL4050337 | 0.78 | ALDH1A1 (0.53) | NOS3NOS1NOS2ADORA2AADORA1 | |
| SCHEMBL4061234 | 0.78 | NOS3 (0.45) | NOS3NOS1NOS2ADORA2AADORA1 | |
| SCHEMBL4052395 | 0.78 | RAB9A (0.46) | NOS3NOS1NOS2MAPK1ALDH1A1 | |
| SCHEMBL4053662 | 0.77 | NOS3 (0.44) | NOS3NOS1NOS2ADORA2A |
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.