Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CPB2 | Q96IY4 | 3/20 | 0.37 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 2/20 | 0.37 |
| ▸ | MMP9 | P14780 | 2/20 | 0.37 |
| ▸ | MMP8 | P22894 | 2/20 | 0.37 |
| ▸ | MMP13 | P45452 | 2/20 | 0.37 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.35 |
| ▸ | LDHA | P00338 | 2/20 | 0.35 |
| ▸ | FDFT1 | P37268 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12568349 | 0.81 | SIRT2 (0.38) | ALDH1A1CYP11B1CPB2MMP2MMP9 | |
| SCHEMBL2073963 | 0.78 | HSD17B10 (0.57) | ALDH1A1CPB2KCNH2MEN1KMT2A | |
| SCHEMBL2073432 | 0.78 | HSD17B10 (0.57) | ALDH1A1CPB2KCNH2MEN1KMT2A | |
| SCHEMBL2072202 | 0.78 | HSD17B10 (0.41) | CYP11B1CPB2FDFT1 | |
| SCHEMBL2072199 | 0.78 | HSD17B10 (0.41) | CYP11B1CPB2FDFT1 | |
| SCHEMBL9317096 | 0.77 | LDHA (0.52) | MDM2LDHAESR1ESR2KMT2A | |
| SCHEMBL1134907 | 0.77 | GABRP (0.42) | ALDH1A1CYP11B1MMP2MMP9MMP8 | |
| SCHEMBL5144527 | 0.77 | CYP11B1 (0.40) | CYP11B1CPB2MMP2MMP9MMP8 | |
| SCHEMBL4200153 | 0.76 | ALDH1A1 (0.45) | ALDH1A1CPB2MMP2MMP9MMP8 | |
| SCHEMBL17051315 | 0.76 | CYP11B1 (0.42) | CYP11B1MMP2MMP9MMP8MMP13 |
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-20090270361-A1 | Substituted pyrazole derivatives and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-10-29 | — | — | US | disclosed |
| WO-2009119880-A1 | SUBSTITUTED PYRAZOLE DERIVATIVES AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-10-01 | — | — | WO | 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-20090270361-A1 | Substituted pyrazole derivatives and use thereof | CBR3, CBR1, NOX5 | ALDH1A1 1105/4885CYP11B1 42/4885CPB2 2809/4885 |
“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.