Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCD | O00767 | 4/20 | 0.49 |
| ▸ | AURKA | O14965 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | IKBKE | Q14164 | 3/20 | 0.39 |
| ▸ | TBK1 | Q9UHD2 | 3/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.39 |
| ▸ | BRAF | P15056 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.36 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.36 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.36 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | VDR | P11473 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 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 | |
|---|---|---|---|---|
| SCHEMBL4226507 | 0.91 | SCD (0.48) | SCDAURKACYP3A4BRAFNOS3 | |
| SCHEMBL4049461 | 0.89 | SCD (0.52) | SCDAURKACYP3A4BRAFNOS3 | |
| SCHEMBL4055311 | 0.88 | AURKA (0.49) | AURKAIKBKETBK1AURKBNOS3 | |
| SCHEMBL4059930 | 0.87 | SCD (0.50) | SCDAURKACYP3A4BRAFFGFR1 | |
| SCHEMBL4057675 | 0.86 | SCD (0.49) | SCDAURKACYP3A4BRAFCYP1A2 | |
| SCHEMBL4051568 | 0.84 | SCD (0.48) | SCDAURKACYP3A4BRAF | |
| SCHEMBL4239962 | 0.84 | SCD (0.48) | SCDAURKACYP3A4IKBKETBK1 | |
| SCHEMBL4056658 | 0.84 | SCD (0.51) | SCDAURKACYP3A4PRMT5 | |
| SCHEMBL13608316 | 0.84 | SCD (0.41) | SCD | |
| SCHEMBL4054481 | 0.84 | SCD (0.51) | SCDAURKACYP3A4IKBKETBK1 |
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.