Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 9/20 | 0.42 |
| ▸ | CA2 | P00918 | 9/20 | 0.42 |
| ▸ | CA12 | O43570 | 5/20 | 0.42 |
| ▸ | CA9 | Q16790 | 5/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8131965 | 0.79 | ALDH1A1 (0.77) | ALDH1A1KDM4ENPC1GAAHPGD | |
| SCHEMBL3080578 | 0.73 | ALDH1A1 (0.49) | ALDH1A1KDM4EHPGDSMN1; SMN2POLB | |
| SCHEMBL23536140 | 0.71 | MAOB (0.42) | ALDH1A1KDM4ENPC1GAAHPGD | |
| SCHEMBL13330102 | 0.71 | ALDH1A1 (0.56) | ALDH1A1KDM4ENPC1GAAHPGD | |
| SCHEMBL6501725 | 0.71 | KMT2A (0.66) | ALDH1A1GAAHPGDSMN1; SMN2CA1 | |
| SCHEMBL6093390 | 0.71 | MMP9 (0.46) | ALDH1A1KDM4ENPC1GAAHPGD | |
| SCHEMBL334884 | 0.70 | CYP4F2 (0.63) | ALDH1A1KDM4ENPC1GAAHPGD | |
| SCHEMBL6500734 | 0.70 | KMT2A (0.49) | ALDH1A1KDM4EHPGDSMN1; SMN2POLB | |
| SCHEMBL2332909 | 0.70 | KMT2A (0.49) | ALDH1A1KDM4ENPC1GAARAB9A | |
| SCHEMBL1939488 | 0.69 | PSIP1 (0.63) | ALDH1A1GAASMN1; SMN2CA2CYP3A4 |
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 | ALDH1A1 159/4885KDM4E 1931/4885NPC1 95/4885 |
“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.