Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 4/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | DRD4 | P21917 | 2/20 | 0.43 |
| ▸ | DRD3 | P35462 | 2/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.42 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3085330 | 0.87 | AR (0.50) | ARCYP11B2CYP19A1CYP11B1POLB | |
| SCHEMBL3086046 | 0.85 | AR (0.46) | ARCYP11B2CYP19A1CYP11B1ALDH1A1 | |
| SCHEMBL13308442 | 0.84 | TSHR (0.42) | CYP11B2CYP19A1CYP11B1ALDH1A1DRD4 | |
| SCHEMBL3086576 | 0.84 | AR (0.53) | ARCYP11B2CYP11B1PTGDR2GRIN1 | |
| SCHEMBL3084002 | 0.84 | AR (0.48) | ARGRIN1GRIN2B | |
| SCHEMBL3086126 | 0.81 | PI4KB (0.40) | ARCYP11B2PTGDR2BRD4CRHR1 | |
| SCHEMBL3070156 | 0.81 | SLC2A1 (0.53) | ARCYP11B2CYP19A1CYP11B1ALDH1A1 | |
| SCHEMBL16832399 | 0.81 | KDM4E (0.62) | CYP11B2CYP19A1CYP11B1ALDH1A1DRD4 | |
| SCHEMBL13308508 | 0.79 | AR (0.50) | ARCYP11B2CYP19A1CYP11B1POLB | |
| SCHEMBL3088592 | 0.79 | AR (0.50) | ARCYP11B2CYP19A1CYP11B1POLB |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101842357-A | Substituted pyrazole derivatives | TAKEDA PHARMACEUTICAL | 2010-09-22 | — | — | CN | disclosed |
| US-20100227846-A1 | SUBSTITUTED PYRAZOLE DERIVATIVE | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-09-09 | — | — | US | disclosed |
| US-20100227846-A1 | SUBSTITUTED PYRAZOLE DERIVATIVE | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-09-09 | — | — | US | disclosed |
| US-20100227846-A1 | SUBSTITUTED PYRAZOLE DERIVATIVE | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-09-09 | — | — | US | disclosed |
| EP-2194045-A1 | SUBSTITUTED PYRAZOLE DERIVATIVE | Takeda Pharmaceutical Company Limited (JP) | 2010-06-09 | — | — | EP | disclosed |
| EP-2194045-A1 | SUBSTITUTED PYRAZOLE DERIVATIVE | Takeda Pharmaceutical Company Limited (JP) | 2010-06-09 | — | — | EP | disclosed |
| US-20090270359-A1 | SUBSTITUTED PYRAZOLE DERIVATIVES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-10-29 | — | — | US | disclosed |
| US-20090270359-A1 | SUBSTITUTED PYRAZOLE DERIVATIVES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-10-29 | — | — | US | disclosed |
| US-20090270359-A1 | SUBSTITUTED PYRAZOLE DERIVATIVES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-10-29 | — | — | US | 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 (2 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-20100227846-A1 | SUBSTITUTED PYRAZOLE DERIVATIVE | AR, NR5A1, NR3C2 | AR 1/4885CYP11B2 13/4885CYP19A1 12/4885 |
| US-20090270359-A1 | SUBSTITUTED PYRAZOLE DERIVATIVES | AR, NR5A1, NR3C2 | AR 1/4885CYP11B2 13/4885CYP19A1 12/4885 |
“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.