Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 4/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | ERN1 | O75460 | 5/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | PRKDC | P78527 | 1/20 | 0.34 |
| ▸ | LCK | P06239 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.34 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28363113 | 0.91 | AKR1B1 (0.37) | AKR1B1CA1CA2ERN1ALDH1A1 | |
| SCHEMBL22568074 | 0.90 | CA1 (0.38) | AKR1B1CA1CA2ERN1ALDH1A1 | |
| SCHEMBL16093500 | 0.85 | ERN1 (0.40) | AKR1B1CA1CA2ERN1ALDH1A1 | |
| SCHEMBL3677774 | 0.84 | AKR1B1 (0.38) | AKR1B1CA1CA2ERN1ALDH1A1 | |
| SCHEMBL3678520 | 0.82 | ALDH1A1 (0.36) | AKR1B1CA1CA2ERN1ALDH1A1 | |
| SCHEMBL8684241 | 0.82 | PTPN1 (0.41) | AKR1B1CA1CA2ERN1ALDH1A1 | |
| SCHEMBL9053478 | 0.82 | AKR1B1 (0.31) | AKR1B1 | |
| SCHEMBL23917711 | 0.78 | ERN1 (0.42) | AKR1B1CA1CA2ERN1ALDH1A1 | |
| SCHEMBL7959993 | 0.78 | CA1 (0.32) | AKR1B1CA1CA2ERN1ALDH1A1 | |
| SCHEMBL4943759 | 0.77 | IMPDH2 (0.42) | AKR1B1CA1CA2ERN1ALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080039642-A1 | Practical, Cost-Effective Synthesis of Chloromethylated 1, 4-Benzoquinones | ZYMES, LLC | 2008-02-14 | — | — | US | disclosed |
| CN-101061085-A | A practical, cost-effective method for synthesizing chloromethylated 1, 4-benzoquinones | ZYMES LLC (US) | 2007-10-24 | — | — | CN | disclosed |
| WO-2006032425-A2 | A PRACTICAL, COST-EFFECTIVE SYNTHESIS OF CHLOROMETHYLATED 1,4-BENZOQUINONES | ZYMES, LLC (US) | 2006-03-30 | — | — | WO | disclosed |
| EP-1640355-A1 | A practical, cost-effective synthesis of chloromethylated 1,4- benzoquinones | BASF AKTIENGESELLSCHAFT (DE) | 2006-03-29 | — | — | EP | disclosed |
| CN-1030415-A | Saturated heterocycle carboxamide derivatives and its preparation method | YAMANOUCHI PHARMA CO LTD (JP) | 1989-01-18 | — | — | CN | disclosed |
| US-4267344-A | 3-PENTA/ALKOXY/BENZYL-; -XANTHYL-, -THIOXANTHYL-, OR -SELENOXANTHYLOXAZOLIDINE-2,5-DIONES | PROTEINKEMISK INSTITUT. TILKNYTTET AKADEMIET FOR DE TEKNISKE VIDENSKABER (DK) | 1981-05-12 | — | — | 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-20080039642-A1 | Practical, Cost-Effective Synthesis of Chloromethylated 1, 4-Benzoquinones | NDUFA10, NDUFB10, NDUFA5 | AKR1B1 659/4885CA1 3987/4885CA2 2696/4885 |
“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.