Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.42 |
| ▸ | MAOA | P21397 | 3/20 | 0.42 |
| ▸ | MAOB | P27338 | 3/20 | 0.42 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.42 |
| ▸ | IDH1 | O75874 | 1/20 | 0.42 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | LDHA | P00338 | 1/20 | 0.37 |
| ▸ | LDHB | P07195 | 1/20 | 0.37 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.36 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.36 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.36 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.36 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.36 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.36 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.36 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12822339 | 1.00 | ESR1 (0.42) | ESR1ESR2MAOAMAOBUGT1A1 | |
| SCHEMBL29906394 | 0.87 | MAOA (0.50) | MAOAMAOBIDH1TBXAS1HSP90AA1 | |
| SCHEMBL12760719 | 0.87 | MAOA (0.50) | MAOAMAOBIDH1TBXAS1HSP90AA1 | |
| SCHEMBL12822344 | 0.87 | MAOA (0.50) | MAOAMAOBIDH1TBXAS1HSP90AA1 | |
| SCHEMBL12822037 | 0.86 | CHRM5 (0.47) | MAOAMAOBIDH1TBXAS1HSP90AA1 | |
| SCHEMBL12965472 | 0.86 | CHRM5 (0.47) | MAOAMAOBIDH1TBXAS1HSP90AA1 | |
| SCHEMBL17988771 | 0.85 | ESR1 (0.49) | ESR1ESR2MAOAMAOBUGT1A1 | |
| SCHEMBL12822356 | 0.85 | IDH1 (0.44) | IDH1TBXAS1HSP90AA1LDHALDHB | |
| SCHEMBL29906466 | 0.85 | IDH1 (0.44) | IDH1TBXAS1HSP90AA1LDHALDHB | |
| SCHEMBL17988774 | 0.85 | ESR1 (0.49) | ESR1ESR2MAOAMAOBUGT1A1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2691372-B1 | TOTAL SYNTHESIS OF REDOX-ACTIVE 1.4-NAPHTHOQUINONES AND THEIR METABOLITES AND THEIR THERAPEUTIC USE AS ANTIMALARIAL AND SCHISTOMICIDAL AGENTS | CENTRE NAT RECH SCIENT (FR) | 2019-10-16 | — | — | EP | disclosed |
| EP-2691372-B1 | TOTAL SYNTHESIS OF REDOX-ACTIVE 1.4-NAPHTHOQUINONES AND THEIR METABOLITES AND THEIR THERAPEUTIC USE AS ANTIMALARIAL AND SCHISTOMICIDAL AGENTS | CENTRE NAT RECH SCIENT (FR) | 2019-10-16 | — | — | EP | disclosed |
| US-9409879-B2 | Total synthesis of redox-active 1.4-naphthoquinones and their metabolites and their therapeutic use as antimalarial and schistomicidal agents | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2016-08-09 | — | — | US | disclosed |
| US-9409879-B2 | Total synthesis of redox-active 1.4-naphthoquinones and their metabolites and their therapeutic use as antimalarial and schistomicidal agents | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2016-08-09 | — | — | US | disclosed |
| US-9409879-B2 | Total synthesis of redox-active 1.4-naphthoquinones and their metabolites and their therapeutic use as antimalarial and schistomicidal agents | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2016-08-09 | — | — | US | disclosed |
| US-20140121238-A1 | TOTAL SYNTHESIS OF REDOX-ACTIVE 1.4-NAPHTHOQUINONES AND THEIR METABOLITES AND THEIR THERAPEUTIC USE AS ANTIMALARIAL AND SCHISTOMICIDAL AGENTS | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2014-05-01 | — | — | US | disclosed |
| US-20140121238-A1 | TOTAL SYNTHESIS OF REDOX-ACTIVE 1.4-NAPHTHOQUINONES AND THEIR METABOLITES AND THEIR THERAPEUTIC USE AS ANTIMALARIAL AND SCHISTOMICIDAL AGENTS | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2014-05-01 | — | — | US | disclosed |
| US-20140121238-A1 | TOTAL SYNTHESIS OF REDOX-ACTIVE 1.4-NAPHTHOQUINONES AND THEIR METABOLITES AND THEIR THERAPEUTIC USE AS ANTIMALARIAL AND SCHISTOMICIDAL AGENTS | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2014-05-01 | — | — | US | disclosed |
| EP-2691372-A1 | TOTAL SYNTHESIS OF REDOX-ACTIVE 1.4-NAPHTHOQUINONES AND THEIR METABOLITES AND THEIR THERAPEUTIC USE AS ANTIMALARIAL AND SCHISTOMICIDAL AGENTS | Centre National De La Recherche Scientifique (FR) | 2014-02-05 | — | — | EP | disclosed |
| WO-2012131010-A1 | TOTAL SYNTHESIS OF REDOX-ACTIVE 1.4-NAPHTHOQUINONES AND THEIR METABOLITES AND THEIR THERAPEUTIC USE AS ANTIMALARIAL AND SCHISTOMICIDAL AGENTS | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2012-10-04 | — | — | WO | disclosed |
| WO-2012131010-A1 | TOTAL SYNTHESIS OF REDOX-ACTIVE 1.4-NAPHTHOQUINONES AND THEIR METABOLITES AND THEIR THERAPEUTIC USE AS ANTIMALARIAL AND SCHISTOMICIDAL AGENTS | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2012-10-04 | — | — | 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-20140121238-A1 | TOTAL SYNTHESIS OF REDOX-ACTIVE 1.4-NAPHTHOQUINONES AND THEIR METABOLITES AND THEIR THERAPEUTIC USE AS ANTIMALARIAL AND SCHISTOMICIDAL AGENTS | NQO1, AOX1, CYP4X1 | ESR1 4081/4885ESR2 3068/4885MAOA 380/4885 |
“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.