Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | XBP1 | P17861 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.37 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.37 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | ELANE | P08246 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL9849946 | 0.84 | ALDH1A1 (0.41) | ALDH1A1MAPK1TDP1SMN1; SMN2MAPT | |
| SCHEMBL20556813 | 0.75 | SMN1; SMN2 (0.42) | ALDH1A1MAPK1TDP1SMN1; SMN2MAPT | |
| SCHEMBL29028319 | 0.74 | SMN1; SMN2 (0.36) | ALDH1A1MAPK1TDP1SMN1; SMN2MAPT | |
| SCHEMBL4815873 | 0.74 | SMN1; SMN2 (0.41) | ALDH1A1MAPK1TDP1SMN1; SMN2MAPT | |
| SCHEMBL27552212 | 0.73 | ALDH1A1 (0.35) | ALDH1A1MAPK1TDP1CES2CES1 | |
| SCHEMBL5960470 | 0.72 | AKR1C1 (0.45) | ALDH1A1MAPK1MAPTLMNANPSR1 | |
| SCHEMBL2835097 | 0.72 | AKR1C1 (0.45) | ALDH1A1MAPK1MAPTLMNANPSR1 | |
| SCHEMBL27278216 | 0.72 | TDP1 (0.40) | ALDH1A1MAPK1TDP1SMN1; SMN2MAPT | |
| SCHEMBL1307988 | 0.71 | ALDH1A1 (0.44) | ALDH1A1MAPK1TDP1MAPTCYP3A4 | |
| SCHEMBL186779 | 0.71 | ALDH1A1 (0.44) | ALDH1A1MAPK1TDP1MAPTCYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11161823-B2 | Anticancer 1,3-dioxane-4,6-dione derivatives and method of combinatorial synthesis thereof | NATIONAL GUARD HEALTH AFFAIRS (SA) | 2021-11-02 | — | — | US | disclosed |
| US-20200290975-A1 | ANTICANCER 1,3-DIOXANE-4,6-DIONE DERIVATIVES AND METHOD OF COMBINATORIAL SYNTHESIS THEREOF | NATIONAL GUARD HEALTH AFFAIRS (SA) | 2020-09-17 | — | — | 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 (2 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-11161823-B2 | Anticancer 1,3-dioxane-4,6-dione derivatives and method of combinatorial synthesis thereof | PDK1, PDHA1, PDHA2 | ALDH1A1 7/4885MAPK1 1437/4885TDP1 2632/4885 |
| US-20200290975-A1 | ANTICANCER 1,3-DIOXANE-4,6-DIONE DERIVATIVES AND METHOD OF COMBINATORIAL SYNTHESIS THEREOF | PDK1, PDHA1, PDHA2 | ALDH1A1 7/4885MAPK1 1437/4885TDP1 2632/4885 |
“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.