Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 1/20 | 0.77 |
| ▸ | UBE2M | P61081 | 1/20 | 0.37 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CCR2 | P41597 | 1/20 | 0.34 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.33 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL1061535 | 0.92 | SMO (0.76) | SMODCUN1D1SSTR4EPHX2 | |
| SCHEMBL1063092 | 0.92 | SMO (0.75) | SMOALDH1A1CCR2SSTR1SSTR4 | |
| SCHEMBL1063456 | 0.91 | SMO (0.82) | SMOTP53KDM4EALDH1A1HSD17B10 | |
| SCHEMBL1060589 | 0.88 | SMO (0.75) | SMODRD4EPHX2 | |
| SCHEMBL1060990 | 0.87 | SMO (0.81) | SMODRD4TP53KDM4EALDH1A1 | |
| SCHEMBL1062738 | 0.87 | SMO (0.70) | SMOKDM4EALDH1A1 | |
| SCHEMBL1061383 | 0.87 | SMO (0.74) | SMOUBE2MDCUN1D1DRD4EPHX2 | |
| SCHEMBL1061668 | 0.87 | SMO (0.73) | SMODRD4ALDH1A1 | |
| Tak-441 SCHEMBL1061476 | 0.87 | SMO (1.00) | SMOTP53KDM4EALDH1A1HSD17B10 | |
| SCHEMBL1058114 | 0.86 | SMO (0.73) | SMODRD4 |
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-8399449-B2 | Fused heterocyclic derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-03-19 | — | — | US | disclosed |
| US-20110003788-A1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-01-06 | — | — | 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 (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-20110003788-A1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | SMO, NR1H2, NR1H4 | SMO 1/4885UBE2M 2610/4885DCUN1D1 4380/4885 |
“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.