Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 5/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 3/20 | 0.38 |
| ▸ | HTR2A | P28223 | 3/20 | 0.38 |
| ▸ | HTR2B | P41595 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | HTR1D | P28221 | 2/20 | 0.38 |
| ▸ | HTR7 | P34969 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6099085 | 0.86 | KDM4E (0.44) | ALDH1A1LMNAHTR1AHTR2AHTR1D | |
| SCHEMBL6096806 | 0.86 | EGFR (0.44) | HTR1AHTR2AHTR7CYP1A2HTR6 | |
| SCHEMBL6096745 | 0.86 | F7 (0.44) | HTR1AHTR2AHTR7HTR6PTPN1 | |
| SCHEMBL6096702 | 0.86 | IGF1R (0.44) | TSHRALDH1A1HPGDHTR1AHTR7 | |
| SCHEMBL6096465 | 0.83 | KDR (0.50) | NPSR1ALDH1A1LMNAHTR2CHTR1A | |
| SCHEMBL6097125 | 0.83 | PRKCB (0.54) | PTPN1PDGFRB | |
| SCHEMBL6099181 | 0.79 | CYP1A2 (0.51) | ALDH1A1HPGDGAACYP3A4HTR1D | |
| SCHEMBL6096484 | 0.78 | IDH1 (0.41) | ALDH1A1CYP3A4CYP2D6CYP1A2PTPN1 | |
| SCHEMBL6094665 | 0.78 | NR4A2 (0.41) | ALDH1A1HTR2APTPN1KDM4EKMT2A | |
| SCHEMBL6094700 | 0.78 | IMPDH2 (0.45) | PTPN1 |
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 | TSHR 4718/4885NPSR1 2940/4885CYP2C9 2121/4885 |
“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.