Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2B6 | P20813 | 2/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29365059 | 0.70 | CYP2B6 (0.43) | CYP2B6CYP1A1CYP1A2 | |
| SCHEMBL1043402 | 0.70 | CYP2B6 (0.43) | CYP2B6CYP1A1CYP1A2 | |
| SCHEMBL29372595 | 0.70 | CYP2B6 (0.43) | CYP2B6CYP1A1CYP1A2 | |
| SCHEMBL9113434 | 0.68 | CYP2B6 (0.42) | CYP2B6CYP1A1CYP1A2 | |
| SCHEMBL6247638 | 0.68 | CYP2B6 (0.42) | CYP2B6CYP1A1CYP1A2 | |
| SCHEMBL6167710 | 0.68 | CYP1A2 (0.46) | CYP2B6CYP1A1CYP1A2 | |
| SCHEMBL30819522 | 0.68 | CYP2B6 (0.42) | CYP2B6CYP1A1CYP1A2 | |
| SCHEMBL7437286 | 0.67 | ABCG2 (0.41) | CYP1A1CYP1A2 | |
| SCHEMBL3708936 | 0.67 | HPRT1 (0.47) | CYP2B6CYP1A1CYP1A2 | |
| SCHEMBL5902340 | 0.67 | KDM4E (0.39) | CYP2B6CYP1A1CYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7812051-B2 | Pharmaceutical compositions of β-lapachone and β-lapachone analogs with improved tumor targeting potential | ARQULE, INC. (US) | 2010-10-12 | — | — | US | disclosed |
| US-20090226395-A1 | Pharmaceutical compositions of beta-lapachone and beta-lapachone analogs with improved tumor targeting potential | ARQULE, INC. (US) | 2009-09-10 | — | — | US | disclosed |
| US-20060034796-A1 | conjugated to polyglutamic acid for enhanced permeability and retention effect | ARQULE, INC. | 2006-02-16 | — | — | 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 (2 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-20090226395-A1 | Pharmaceutical compositions of beta-lapachone and beta-lapachone analogs with improved tumor targeting potential | NQO1, KEAP1, DLD | CYP2B6 1889/4885CYP1A1 389/4885CYP1A2 919/4885 |
| US-20060034796-A1 | conjugated to polyglutamic acid for enhanced permeability and retention effect | QPCT, KEAP1, SLC46A1 | CYP2B6 3836/4885CYP1A1 2528/4885CYP1A2 3027/4885 |
“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.