Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 9/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.47 |
| ▸ | CYP2C18 | P33260 | 3/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | THPO | P40225 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | CDC25A | P30304 | 1/20 | 0.41 |
| ▸ | CDC25B | P30305 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL25351301 | 0.79 | ALDH1A1 (0.60) | ALDH1A1CYP2C9POLBGLALMNA | |
| SCHEMBL8694140 | 0.78 | ALDH1A1 (0.59) | ALDH1A1CYP2C9POLBGLACYP2C19 | |
| SCHEMBL2837826 | 0.77 | ALDH1A1 (0.57) | ALDH1A1CYP2C9POLBGLACYP2C19 | |
| SCHEMBL8691662 | 0.77 | ALDH1A1 (0.57) | ALDH1A1CYP2C9POLBGLACYP2C19 | |
| SCHEMBL8953991 | 0.77 | ALDH1A1 (0.57) | ALDH1A1CYP2C9POLBGLACYP2C19 | |
| SCHEMBL2841019 | 0.77 | GAA (0.60) | ALDH1A1NPSR1LMNATSHRTDP1 | |
| SCHEMBL2841054 | 0.73 | CYP2C18 (0.50) | ALDH1A1CYP2C9POLBCYP2C19CYP2C18 | |
| SCHEMBL2517751 | 0.72 | MAPK1 (0.51) | CYP2C19LMNATSHR | |
| SCHEMBL2835908 | 0.72 | GAA (0.67) | LMNA | |
| Sulfazamet SCHEMBL193436 | 0.72 | ALDH1A1 (0.81) | ALDH1A1CYP2C9POLBGLACYP2C19 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3162798-A1 | 5-MEMBERED HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2017-05-03 | — | — | EP | disclosed |
| EP-2196459-B1 | 5-MEMBERED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL (JP) | 2016-11-02 | — | — | EP | disclosed |
| US-8334301-B2 | 5-Membered heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-12-18 | — | — | US | disclosed |
| US-20100210696-A1 | 5-MEMBERED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-08-19 | — | — | US | disclosed |
| EP-2196459-A1 | 5-MEMBERED HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2010-06-16 | — | — | 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-20100210696-A1 | 5-MEMBERED HETEROCYCLIC COMPOUND | NPY4R, NPY5R, NPY1R | ALDH1A1 2505/4885CYP2C9 508/4885POLB 3624/4885 |
“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.