Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | GSK3B | P49841 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | OGG1 | O15527 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5873202 | 0.91 | GSK3B (0.56) | CES2CES1CA1CA2CYP1A2 | |
| SCHEMBL5873117 | 0.90 | LMNA (0.50) | CES2CES1CA1CA2CYP1A2 | |
| SCHEMBL28795688 | 0.90 | MEN1 (0.50) | CES2CES1CYP1A2ALDH1A1KMT2A | |
| SCHEMBL7734235 | 0.87 | CES2 (0.56) | CES2CES1CA1CA2CYP1A2 | |
| SCHEMBL1799408 | 0.86 | PARP1 (0.41) | CES2CES1CA1CA2CYP1A2 | |
| SCHEMBL1795647 | 0.82 | PARP1 (0.49) | CYP1A2ALDH1A1KMT2AMEN1GSK3B | |
| SCHEMBL1796450 | 0.80 | GSK3B (0.66) | CA1CA2CYP1A2ALDH1A1KMT2A | |
| SCHEMBL20159736 | 0.79 | CES2 (0.48) | CES2CES1CA1CA2CYP1A2 | |
| SCHEMBL978025 | 0.79 | TDP1 (0.57) | CES2CES1CYP1A2ALDH1A1KMT2A | |
| SCHEMBL27998797 | 0.78 | CYP1A2 (0.45) | CES2CES1CYP1A2ALDH1A1KMT2A |
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-7067702-B2 | Process for preparing vinyl substituted beta-diketones | THE JOHNS HOPKINS UNIVERSITY (US) | 2006-06-27 | — | — | US | disclosed |
| US-20060069288-A1 | Process for preparing vinyl substituted beta-diketones | THE JOHNS HOPKINS UNIVERSITY | 2006-03-30 | — | — | 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-20060069288-A1 | Process for preparing vinyl substituted beta-diketones | VRK1, VRK2, DEK | CES2 2479/4885CES1 2307/4885CA1 3845/4885 |
“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.