Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.44 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.40 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.40 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.40 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.40 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.37 |
| ▸ | QPCT | Q16769 | 2/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4060685 | 0.91 | KIT (0.42) | TRPV1NOS3NOS1NOS2GABRA1 | |
| SCHEMBL4054880 | 0.88 | NOS3 (0.42) | NOS3NOS1NOS2ADORA2APIK3R1 | |
| SCHEMBL4060650 | 0.87 | NOS3 (0.49) | NOS3NOS1NOS2ADORA2AADORA1 | |
| SCHEMBL4053237 | 0.86 | NOS3 (0.42) | NOS3NOS1NOS2ADORA2AADORA1 | |
| SCHEMBL4058313 | 0.86 | NOS1 (0.44) | NOS3NOS1NOS2ADORA2AADORA1 | |
| SCHEMBL4059226 | 0.84 | NOS3 (0.53) | TRPV1NOS3NOS1NOS2PDE10A | |
| SCHEMBL4053616 | 0.83 | NOS3 (0.40) | NOS3NOS1NOS2ADORA2AADORA1 | |
| SCHEMBL4055225 | 0.83 | NOS1 (0.42) | NOS3NOS1NOS2ADORA2APDE10A | |
| SCHEMBL13608668 | 0.83 | TRPV1 (0.42) | TRPV1GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL4055769 | 0.83 | NOS1 (0.54) | 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 | TRPV1 2690/4885NOS3 907/4885NOS1 879/4885 |
“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.