Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCD | O00767 | 3/20 | 0.51 |
| ▸ | AURKA | O14965 | 4/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | BRAF | P15056 | 2/20 | 0.41 |
| ▸ | IKBKE | Q14164 | 2/20 | 0.39 |
| ▸ | TBK1 | Q9UHD2 | 2/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.38 |
| ▸ | CBFB | Q13951 | 1/20 | 0.38 |
| ▸ | DHODH | Q02127 | 2/20 | 0.38 |
| ▸ | KIT | P10721 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4057703 | 0.91 | AURKA (0.44) | SCDAURKACYP3A4BRAFIKBKE | |
| SCHEMBL4054757 | 0.90 | SCD (0.50) | SCDAURKACYP3A4BRAFIKBKE | |
| SCHEMBL4059982 | 0.88 | AURKA (0.45) | SCDAURKAIKBKETBK1GABRA1 | |
| SCHEMBL4051766 | 0.87 | TRPA1 (0.45) | SCDAURKAIKBKETBK1 | |
| SCHEMBL4058280 | 0.87 | AURKA (0.50) | AURKAIKBKETBK1GABRA1GABRG2 | |
| SCHEMBL4054258 | 0.87 | AURKA (0.49) | AURKABRAFIKBKETBK1KMT2A | |
| SCHEMBL4049461 | 0.86 | SCD (0.52) | SCDAURKACYP3A4BRAF | |
| SCHEMBL4239962 | 0.86 | SCD (0.48) | SCDAURKACYP3A4BRAFIKBKE | |
| SCHEMBL4055805 | 0.86 | AURKA (0.47) | AURKABRAFIKBKETBK1GABRA1 | |
| SCHEMBL4056658 | 0.86 | SCD (0.51) | SCDAURKACYP3A4DHODH |
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 | SCD 4559/4885AURKA 247/4885CYP3A4 886/4885 |
“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.