Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | ERN1 | O75460 | 1/20 | 0.38 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL3745875 | 0.81 | AKR1C3 (0.46) | KDM4ECYP1A2CYP2C9IDO1ALDH1A1 | |
| SCHEMBL3745872 | 0.81 | AKR1C3 (0.46) | KDM4ECYP1A2CYP2C9IDO1ALDH1A1 | |
| SCHEMBL13080072 | 0.81 | AKR1C3 (0.46) | KDM4ECYP1A2CYP2C9IDO1ALDH1A1 | |
| SCHEMBL3743499 | 0.81 | ALDH1A1 (0.52) | KDM4ECYP1A2CYP2C9IDO1ALDH1A1 | |
| SCHEMBL30194974 | 0.81 | ALDH1A1 (0.52) | KDM4ECYP1A2CYP2C9IDO1ALDH1A1 | |
| SCHEMBL13080213 | 0.79 | ALDH1A1 (0.43) | KDM4ECYP1A2CYP2C9IDO1ALDH1A1 | |
| SCHEMBL13079414 | 0.79 | ALDH1A1 (0.35) | ALDH1A1TSHR | |
| SCHEMBL13894552 | 0.76 | ALDH1A1 (0.50) | KDM4ECYP1A2CYP2C9IDO1ALDH1A1 | |
| SCHEMBL16673091 | 0.76 | KDM4E (0.43) | KDM4ECYP1A2CYP2C9IDO1ALDH1A1 | |
| SCHEMBL16689625 | 0.76 | KDM4E (0.43) | KDM4ECYP1A2CYP2C9IDO1ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | KDM4E 2642/4885CYP1A2 334/4885CYP2C9 378/4885 |
“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.