Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.34 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 3/20 | 0.34 |
| ▸ | LY6K | Q17RY6 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.33 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.33 |
| ▸ | GBA1 | P04062 | 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 | |
|---|---|---|---|---|
| SCHEMBL13079435 | 1.00 | KEAP1 (0.35) | KEAP1TDP1ITGB1ITGA4CNR1 | |
| SCHEMBL13049468 | 1.00 | KEAP1 (0.35) | KEAP1TDP1ITGB1ITGA4CNR1 | |
| SCHEMBL13079434 | 0.86 | TDP1 (0.51) | KEAP1TDP1ITGB1ITGA4CNR1 | |
| SCHEMBL13049455 | 0.86 | TDP1 (0.51) | KEAP1TDP1ITGB1ITGA4CNR1 | |
| SCHEMBL13049469 | 0.82 | TDP1 (0.52) | KEAP1TDP1ALDH1A1HPGDPPARG | |
| SCHEMBL13080225 | 0.82 | TDP1 (0.52) | KEAP1TDP1ALDH1A1HPGDPPARG | |
| SCHEMBL13079425 | 0.82 | TDP1 (0.52) | KEAP1TDP1ALDH1A1HPGDPPARG | |
| SCHEMBL13049463 | 0.81 | APEX1 (0.49) | TDP1ITGB1ITGA4CNR1CA12 | |
| SCHEMBL13894719 | 0.78 | TDP1 (0.50) | KEAP1TDP1ITGB1ITGA4HTR6 | |
| SCHEMBL4962526 | 0.76 | TDP1 (0.50) | TDP1ITGB1ITGA4CNR1CA12 |
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-9089605-B2 | Quinone derivatives, pharmaceutical compositions, and uses thereof | INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) | 2015-07-28 | — | — | US | disclosed |
| US-20100297113-A1 | QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | PURDUE RESEARCH FOUNDATION | 2010-11-25 | — | — | 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-20100297113-A1 | QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | APEX1, NQO1, REV1 | KEAP1 5/4885TDP1 118/4885ITGB1 4691/4885 |
“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.