Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.45 |
| ▸ | CDK1 | P06493 | 2/20 | 0.45 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.45 |
| ▸ | GSK3A | P49840 | 2/20 | 0.45 |
| ▸ | GSK3B | P49841 | 2/20 | 0.45 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.45 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.45 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | GFER | P55789 | 2/20 | 0.45 |
| ▸ | HTR6 | P50406 | 2/20 | 0.45 |
| ▸ | HTR7 | P34969 | 1/20 | 0.45 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.44 |
| ▸ | MTOR | P42345 | 1/20 | 0.44 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7234412 | 0.87 | ALDH1A1 (0.51) | ALDH1A1AKR1C2HPGDCCNB2CDK1 | |
| SCHEMBL6093757 | 0.85 | ALDH1A1 (0.42) | ALDH1A1HPGDGSK3AGSK3BCDK5 | |
| SCHEMBL6094945 | 0.83 | MAP3K14 (0.44) | HPGDGSK3AGSK3BHTR6HTR7 | |
| SCHEMBL6110147 | 0.80 | CCR6 (0.51) | ALDH1A1HPGDGSK3BMEN1KMT2A | |
| SCHEMBL6096320 | 0.78 | MITF (0.43) | ALDH1A1MAPT | |
| SCHEMBL6096465 | 0.77 | KDR (0.50) | ALDH1A1MEN1KMT2AHTR6HTR7 | |
| SCHEMBL7230623 | 0.76 | MAP2 (0.50) | ALDH1A1AKR1C2HPGDGSK3AGSK3B | |
| SCHEMBL6098106 | 0.76 | ALDH1A1 (0.45) | ALDH1A1AKR1C2HPGDCCNB2CDK1 | |
| SCHEMBL29094076 | 0.74 | HKDC1 (0.64) | ALDH1A1AKR1C2HPGDMEN1KMT2A | |
| SCHEMBL6095842 | 0.70 | RPA1 (0.43) | HPGDMEN1KMT2AKDM4EMAPT |
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-7057052-B2 | Heterocyclic quinones as pharmaceutical agents | DUKE UNIVERSITY (US) | 2006-06-06 | — | — | US | disclosed |
| WO-2004050014-A2 | SETEROCYCLIC QUINONES AS PHARMACEUTICAL AGENTS | DUKE UNIVERSITY (US) | 2004-06-17 | — | — | WO | disclosed |
| US-20040063774-A1 | Heterocyclic quinones as pharmaceutical agents | DUKE UNIVERSITY | 2004-04-01 | — | — | 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-20040063774-A1 | Heterocyclic quinones as pharmaceutical agents | NQO1, RECQL, SDHA | ALDH1A1 609/4885AKR1C2 1539/4885HPGD 64/4885 |
“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.