Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 4/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ACE | P12821 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6822113 | 1.00 | CYP3A4 (0.41) | CYP3A4CYP2C9SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL6819022 | 1.00 | CYP3A4 (0.41) | CYP3A4CYP2C9SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL6822738 | 0.99 | ESR2 (0.40) | CYP3A4CYP2C9SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL7095023 | 0.83 | CYP3A4 (0.49) | CYP3A4CYP2C9SMN1; SMN2CNR2HDAC1 | |
| SCHEMBL11834080 | 0.79 | PPARG (0.44) | CYP2C9SMN1; SMN2ALDH1A1MAPTESR2 | |
| SCHEMBL11836265 | 0.79 | CYP3A4 (0.39) | CYP3A4CYP2C9SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL31294747 | 0.78 | HSD11B1 (0.41) | CYP2C9SMN1; SMN2ALDH1A1MAPTGAA | |
| SCHEMBL11494029 | 0.77 | KMT2A (0.47) | CYP3A4ALDH1A1ESR2SLC6A2POLB | |
| SCHEMBL11822362 | 0.77 | ACE (0.39) | CYP3A4CYP2C9SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL11848763 | 0.76 | RORC (0.50) | SMN1; SMN2ALDH1A1MAPTESR2HAO1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100455577-C | Substituted 1,2, 4-tri alkanes useful as antimalarial agents and process for their preparation | SCIENCE & INDUSTRY RES INST (IN) | 2009-01-28 | — | — | CN | disclosed |
| US-6737438-B2 | EFFECTIVE IN MULTIDRUG RESISTANT MICE | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2004-05-18 | — | — | US | disclosed |
| CN-1487930-A | Novel substituted 1,2,4-trioxanes useful as antimalarial agents and a process for the preparation thereof | 科学与工业研究会 | 2004-04-07 | — | — | CN | disclosed |
| US-20040053991-A1 | Substituted 1,2,4-trioxanes useful as antimalarial agents and a process for the preparation thereof | COUNCIL SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2004-03-18 | — | — | US | disclosed |
| WO-2003082852-A1 | NOVEL SUBSTITUTED 1,2,4-TRIOXANES USEFUL AS ANTIMALARIAL AGENTS AND A PROCESS FOR THE PREPARATION THEREOF | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2003-10-09 | — | — | 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-20040053991-A1 | Substituted 1,2,4-trioxanes useful as antimalarial agents and a process for the preparation thereof | DHPS, TBXAS1, ABCC1 | CYP3A4 76/4885CYP2C9 301/4885SMN1; SMN2 4624/4885 |
“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.