Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | DHFR | P00374 | 1/20 | 0.31 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.30 |
| ▸ | FEN1 | P39748 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6091196 | 0.86 | CYP3A4 (0.32) | CYP3A4CYP2D6DHFRALOX5APFEN1 | |
| SCHEMBL6094193 | 0.79 | CYP3A4 (0.31) | CYP3A4CYP2D6 | |
| SCHEMBL7751119 | 0.75 | — | — | |
| SCHEMBL6092412 | 0.74 | SMN1; SMN2 (0.33) | CYP2D6 | |
| SCHEMBL7753389 | 0.73 | — | — | |
| SCHEMBL4050696 | 0.72 | TP53 (0.33) | CYP2D6ALOX5APFEN1 | |
| SCHEMBL5432902 | 0.70 | BCHE (0.38) | — | |
| SCHEMBL6959381 | 0.69 | DHFR (0.45) | CYP3A4DHFR | |
| SCHEMBL8736639 | 0.68 | — | — | |
| SCHEMBL29986224 | 0.67 | DGAT1 (0.32) | ALOX5APFEN1 |
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-20060063828-A1 | 1,2-Bis-(substituted-phenyl)-2-propen-1-ones and pharmaceutical compositions thereof | ATHEROGENICS, INC. | 2006-03-23 | — | — | US | disclosed |
| WO-2006004903-A2 | 1,2-BIS-(SUBSTITUTED-PHENYL)-2-PROPEN-1-ONES AND PHARMACEUTICAL COMPOSITIONS THEREOF | ATHEROGENICS, INC. (US) | 2006-01-12 | — | — | 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-20060063828-A1 | 1,2-Bis-(substituted-phenyl)-2-propen-1-ones and pharmaceutical compositions thereof | ABCB11, CEL, CYP46A1 | CYP3A4 51/4885CYP2D6 14/4885DHFR 2713/4885 |
“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.