Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.73 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.73 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.70 |
| ▸ | MAPT | P10636 | 3/20 | 0.65 |
| ▸ | MAOB | P27338 | 3/20 | 0.65 |
| ▸ | MAOA | P21397 | 1/20 | 0.65 |
| ▸ | MEN1 | O00255 | 1/20 | 0.60 |
| ▸ | USP2 | O75604 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | POLB | P06746 | 1/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.60 |
| ▸ | RECQL | P46063 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.60 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.59 |
| ▸ | F3 | P13726 | 1/20 | 0.58 |
| ▸ | P4HB | P07237 | 1/20 | 0.56 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL16185807 | 1.00 | ESR1 (0.73) | ESR1ESR2CYP1B1MAPTMAOB | |
| SCHEMBL1659833 | 0.91 | ESR1 (0.86) | ESR1ESR2CYP1B1MAPTMAOB | |
| SCHEMBL1659832 | 0.91 | ESR1 (0.86) | ESR1ESR2CYP1B1MAPTMAOB | |
| SCHEMBL17694974 | 0.86 | ESR1 (0.77) | ESR1ESR2CYP1B1MAPTMAOB | |
| SCHEMBL25201692 | 0.84 | F3 (0.82) | ESR1ESR2CYP1B1MAPTMAOB | |
| SCHEMBL25285000 | 0.84 | XDH (0.64) | CYP1B1MAPTMAOBMAOAMEN1 | |
| SCHEMBL25190594 | 0.84 | F3 (0.82) | ESR1ESR2CYP1B1MAPTMAOB | |
| SCHEMBL24778812 | 0.84 | XDH (0.64) | CYP1B1MAPTMAOBMAOAMEN1 | |
| SCHEMBL25223617 | 0.84 | CYP1B1 (0.77) | ESR1ESR2CYP1B1MAPTMAOB | |
| SCHEMBL25221605 | 0.84 | ESR1 (1.00) | ESR1ESR2CYP1B1MAPTMAOB |
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 | ESR1 2229/4885ESR2 1662/4885CYP1B1 996/4885 |
“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.