Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 4/20 | 0.50 |
| ▸ | CD274 | Q9NZQ7 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | KDM1A | O60341 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.45 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.45 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL15853566 | 0.94 | PDCD1 (0.49) | PDCD1CD274CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL16472555 | 0.94 | PDCD1 (0.49) | PDCD1CD274CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL695934 | 0.92 | PDCD1 (0.57) | PDCD1CD274CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL20225729 | 0.92 | PDCD1 (0.57) | PDCD1CD274CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL16559901 | 0.86 | MAPT (0.53) | PDCD1CD274ALDH1A1GAARAB9A | |
| SCHEMBL18101270 | 0.86 | MAPT (0.53) | PDCD1CD274ALDH1A1GAARAB9A | |
| SCHEMBL12764476 | 0.86 | MAPT (0.53) | PDCD1CD274ALDH1A1GAARAB9A | |
| SCHEMBL18101275 | 0.86 | MAPT (0.53) | PDCD1CD274ALDH1A1GAARAB9A | |
| SCHEMBL14787738 | 0.86 | MAPT (0.53) | PDCD1CD274ALDH1A1GAARAB9A | |
| SCHEMBL16472566 | 0.86 | PDCD1 (0.43) | PDCD1CD274CYP3A4CYP2D6ALDH1A1 |
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-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 |
| 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 | PDCD1 2517/4885CD274 2948/4885CYP3A4 268/4885 |
| US-20090270359-A1 | SUBSTITUTED PYRAZOLE DERIVATIVES | AR, NR5A1, NR3C2 | PDCD1 2608/4885CD274 2966/4885CYP3A4 269/4885 |
“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.