Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 3/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | SLC11A2 | P49281 | 1/20 | 0.39 |
| ▸ | CDK4 | P11802 | 5/20 | 0.39 |
| ▸ | CDK2 | P24941 | 5/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5364215 | 0.78 | CYP2A6 (0.45) | CYP2A6ALDH1A1ARKIF11SLC11A2 | |
| SCHEMBL5362730 | 0.78 | AR (0.44) | ALDH1A1ARSLC11A2MMP3GAA | |
| SCHEMBL4909930 | 0.76 | AR (0.44) | CYP2A6ALDH1A1ARKIF11SLC11A2 | |
| SCHEMBL6467801 | 0.76 | ESR1 (0.43) | CYP2A6ALDH1A1ARSLC11A2MMP3 | |
| SCHEMBL5358282 | 0.74 | CYP11B2 (0.41) | ARCDK4CDK2CYP11B2 | |
| SCHEMBL4910488 | 0.73 | AR (0.43) | CYP2A6ALDH1A1ARSLC11A2CYP11B2 | |
| SCHEMBL4920135 | 0.72 | AR (0.41) | CYP2A6ALDH1A1ARKIF11SLC11A2 | |
| SCHEMBL4910473 | 0.72 | KMT2A (0.44) | CYP2A6ALDH1A1ARSLC11A2MMP3 | |
| SCHEMBL4918581 | 0.72 | KMT2A (0.40) | ALDH1A1ARKIF11GAAESR1 | |
| SCHEMBL4918690 | 0.71 | MEN1 (0.43) | CYP2A6ALDH1A1ARSLC11A2CYP11B2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050101657-A1 | Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative | TAKEDA CHEMICAL INDUSTRIES LTD. (JP) | 2005-05-12 | — | — | US | disclosed |
| EP-1466902-A1 | ANDROGEN RECEPTOR ANTAGONISTS | Takeda Chemical Industries, Ltd. (JP) | 2004-10-13 | — | — | 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-20050101657-A1 | Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative | SHBG, PRLHR, FSHR | CYP2A6 915/4885ALDH1A1 2144/4885AR 6/4885 |
“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.