Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | AR | P10275 | 5/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | FNTA | P49354 | 1/20 | 0.41 |
| ▸ | FNTB | P49356 | 1/20 | 0.41 |
| ▸ | PGGT1B | P53609 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | NSD2 | O96028 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3086122 | 0.90 | AR (0.46) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3070012 | 0.89 | AR (0.50) | ARMEN1KMT2AUSP2SMN1; SMN2 | |
| SCHEMBL3077429 | 0.89 | AR (0.50) | ARMEN1KMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL3069287 | 0.89 | KDM4E (0.45) | ARMEN1KMT2AUSP2SMN1; SMN2 | |
| SCHEMBL3081376 | 0.88 | AR (0.49) | ARNSD2PTGDR2 | |
| SCHEMBL3077664 | 0.87 | AR (0.45) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3087297 | 0.87 | AR (0.62) | CYP1A2ARNSD2 | |
| SCHEMBL3081423 | 0.87 | AR (0.48) | ARMEN1KMT2ANSD2PTGDR2 | |
| SCHEMBL3063842 | 0.87 | AR (0.48) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3074078 | 0.87 | AR (0.48) | ARMEN1KMT2ASMN1; SMN2ALDH1A1 |
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 | CYP1A2 164/4885CYP3A4 268/4885CYP2D6 549/4885 |
| US-20090270359-A1 | SUBSTITUTED PYRAZOLE DERIVATIVES | AR, NR5A1, NR3C2 | CYP1A2 160/4885CYP3A4 269/4885CYP2D6 551/4885 |
“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.