Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APEX1 | P27695 | 10/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.35 |
| ▸ | BCL2A1 | Q16548 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL3744482 | 1.00 | APEX1 (0.43) | APEX1AKR1C3KDM4ECYP1A2CYP2C9 | |
| SCHEMBL3737086 | 1.00 | APEX1 (0.43) | APEX1AKR1C3KDM4ECYP1A2CYP2C9 | |
| SCHEMBL13080089 | 0.84 | AKR1C3 (0.49) | APEX1AKR1C3KDM4ECYP1A2CYP2C9 | |
| SCHEMBL3726530 | 0.84 | AKR1C3 (0.49) | APEX1AKR1C3KDM4ECYP1A2CYP2C9 | |
| SCHEMBL3726535 | 0.84 | AKR1C3 (0.49) | APEX1AKR1C3KDM4ECYP1A2CYP2C9 | |
| SCHEMBL13080078 | 0.83 | KDM4E (0.35) | KDM4ECYP1A2CYP2C9IDO1ALDH1A1 | |
| SCHEMBL13080068 | 0.83 | KDM4E (0.35) | KDM4ECYP1A2CYP2C9IDO1ALDH1A1 | |
| SCHEMBL13080086 | 0.82 | APEX1 (0.36) | APEX1KDM4ECYP1A2CYP2C9IDO1 | |
| SCHEMBL13080073 | 0.82 | APEX1 (0.36) | APEX1KDM4ECYP1A2CYP2C9IDO1 | |
| SCHEMBL3745872 | 0.81 | AKR1C3 (0.46) | APEX1AKR1C3KDM4ECYP1A2CYP2C9 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2203161-B1 | QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | UNIV INDIANA RES & TECH CORP (US) | 2018-05-09 | — | — | EP | disclosed |
| 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 |
| EP-2203161-A1 | QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | Indiana University Research and Technology Corporation (US) | 2010-07-07 | — | — | EP | disclosed |
| WO-2009042544-A1 | QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) | 2009-04-02 | — | — | WO | 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 | APEX1 1/4885AKR1C3 933/4885KDM4E 2642/4885 |
“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.