Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 1.00 |
| ▸ | CES1 | P23141 | 3/20 | 1.00 |
| ▸ | CES2 | O00748 | 2/20 | 1.00 |
| ▸ | BCHE | P06276 | 2/20 | 1.00 |
| ▸ | MCL1 | Q07820 | 1/20 | 1.00 |
| ▸ | PABPC1 | P11940 | 3/20 | 0.73 |
| ▸ | DNMT1 | P26358 | 2/20 | 0.73 |
| ▸ | CASP1 | P29466 | 2/20 | 0.73 |
| ▸ | CASP7 | P55210 | 2/20 | 0.73 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.73 |
| ▸ | TYMS | P04818 | 4/20 | 0.64 |
| ▸ | PARP1 | P09874 | 1/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
| ▸ | ATM | Q13315 | 2/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.60 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.56 |
| ▸ | FEN1 | P39748 | 1/20 | 0.56 |
| ▸ | ERCC4 | Q92889 | 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 | |
|---|---|---|---|---|
| Acenaphthoquinone SCHEMBL141538 | 1.00 | ALDH1A1 (1.00) | ALDH1A1CES1CES2BCHEMCL1 | |
| Acenaphthoquinone SCHEMBL29586645 | 1.00 | ALDH1A1 (1.00) | ALDH1A1CES1CES2BCHEMCL1 | |
| Acenaphthoquinone SCHEMBL10628576 | 0.97 | ALDH1A1 (0.94) | ALDH1A1CES1CES2BCHEMCL1 | |
| SCHEMBL4612919 | 0.97 | ALDH1A1 (0.94) | ALDH1A1CES1CES2BCHEMCL1 | |
| Acenaphthoquinone SCHEMBL10628581 | 0.97 | ALDH1A1 (0.94) | ALDH1A1CES1CES2BCHEMCL1 | |
| Acenaphthoquinone SCHEMBL28105137 | 0.97 | ALDH1A1 (0.94) | ALDH1A1CES1CES2BCHEMCL1 | |
| Acenaphthoquinone SCHEMBL28981517 | 0.95 | ALDH1A1 (0.90) | ALDH1A1CES1CES2BCHEMCL1 | |
| SCHEMBL18803237 | 0.94 | ALDH1A1 (0.89) | ALDH1A1CES1CES2BCHEMCL1 | |
| Acenaphthoquinone SCHEMBL28157323 | 0.90 | ALDH1A1 (0.81) | ALDH1A1CES1CES2BCHEMCL1 | |
| SCHEMBL7746057 | 0.89 | PABPC1 (0.91) | ALDH1A1CES1CES2BCHEMCL1 |
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-7973034-B2 | Ameliorating toxic effects of such as cancer therapy drugs or addictive drug overdose | ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) | 2011-07-05 | — | — | US | disclosed |
| US-20050054691-A1 | Carboxylesterase inhibitors | ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) | 2005-03-10 | — | — | 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-20050054691-A1 | Carboxylesterase inhibitors | CES1, CES2, BCHE | ALDH1A1 227/4885CES1 1/4885CES2 2/4885 |
“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.