Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 1/20 | 0.51 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.51 |
| ▸ | ERN1 | O75460 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.42 |
| ▸ | CDK1 | P06493 | 1/20 | 0.42 |
| ▸ | CDK4 | P11802 | 1/20 | 0.42 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.42 |
| ▸ | CCND1 | P24385 | 1/20 | 0.42 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3613087 | 0.87 | SMN1; SMN2 (0.42) | PDCD1CD274ALDH1A1KDM4ECYP1A2 | |
| SCHEMBL3603467 | 0.85 | PTPN1 (0.50) | ERN1ALDH1A1KDM4ESMN1; SMN2RAB9A | |
| SCHEMBL3605162 | 0.84 | KDM4E (0.44) | PDCD1CD274ALDH1A1KDM4ECYP1A2 | |
| SCHEMBL2267469 | 0.82 | ERN1 (0.43) | PDCD1CD274ERN1ALDH1A1KDM4E | |
| SCHEMBL3608070 | 0.81 | L3MBTL1 (0.45) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1067302 | 0.79 | ALDH1A1 (0.58) | ERN1ALDH1A1KDM4ESMN1; SMN2NPC1 | |
| SCHEMBL3612372 | 0.79 | NPC1 (0.49) | PDCD1CD274ERN1ALDH1A1KDM4E | |
| SCHEMBL1963431 | 0.79 | HDAC8 (0.52) | ERN1ALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL1445747 | 0.79 | MAOB (0.50) | ERN1ALDH1A1NPC1RAB9AMEN1 | |
| SCHEMBL4030463 | 0.79 | TUBB1 (0.53) | ERN1ALDH1A1KDM4ESMN1; SMN2NPC1 |
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-20100016396-A1 | PYRAZOLE COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-01-21 | — | — | US | disclosed |
| EP-2128138-A1 | PYRAZOLE COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2009-12-02 | — | — | 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-20100016396-A1 | PYRAZOLE COMPOUND | SLC5A1, SLC5A2, GLP1R | PDCD1 2389/4885CD274 3521/4885ERN1 3332/4885 |
“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.