Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 3/20 | 0.55 |
| ▸ | PARP1 | P09874 | 1/20 | 0.53 |
| ▸ | IKBKE | Q14164 | 7/20 | 0.52 |
| ▸ | TBK1 | Q9UHD2 | 7/20 | 0.52 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.52 |
| ▸ | CDK2 | P24941 | 1/20 | 0.46 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | VDR | P11473 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.46 |
| ▸ | AHR | P35869 | 1/20 | 0.46 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.46 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.46 |
| ▸ | BRAF | P15056 | 1/20 | 0.46 |
| ▸ | DHODH | Q02127 | 2/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13608289 | 0.84 | PARP1 (0.47) | AURKAPARP1PIN1GSK3BKDM4E | |
| SCHEMBL4053861 | 0.83 | AURKA (0.59) | AURKAPARP1IKBKETBK1AURKB | |
| SCHEMBL4055330 | 0.82 | AURKA (0.67) | AURKAPARP1IKBKETBK1AURKB | |
| SCHEMBL4062482 | 0.82 | AURKA (0.70) | AURKAPARP1IKBKETBK1AURKB | |
| SCHEMBL4059434 | 0.80 | AURKA (0.63) | AURKAIKBKETBK1AURKBCDK2 | |
| SCHEMBL4053786 | 0.80 | AURKA (0.60) | AURKAPARP1IKBKETBK1AURKB | |
| SCHEMBL4054258 | 0.80 | AURKA (0.49) | AURKAIKBKETBK1AURKBCDK2 | |
| SCHEMBL4055971 | 0.78 | AURKA (0.56) | AURKAIKBKETBK1AURKBNR1I2 | |
| SCHEMBL4058139 | 0.77 | AURKA (0.62) | AURKAPARP1IKBKETBK1AURKB | |
| SCHEMBL4055504 | 0.77 | SMN1; SMN2 (0.47) | IKBKETBK1AURKBCYP1A2DHODH |
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 | AURKA 247/4885PARP1 1089/4885IKBKE 129/4885 |
“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.