Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.65 |
| ▸ | CRHBP | P24387 | 3/20 | 0.65 |
| ▸ | CRHR2 | Q13324 | 3/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.55 |
| ▸ | SIRT1 | Q96EB6 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 6/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.43 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL17199432 | 0.83 | ALDH1A1 (0.67) | ALDH1A1CRHBPCRHR2KMT2ASIRT1 | |
| SCHEMBL1587773 | 0.82 | ALDH1A1 (0.66) | ALDH1A1CRHBPCRHR2KMT2ASIRT1 | |
| SCHEMBL31462528 | 0.82 | KMT2A (0.56) | ALDH1A1CRHBPCRHR2KMT2ASIRT1 | |
| SCHEMBL435198 | 0.81 | SIRT1 (0.71) | ALDH1A1CRHBPCRHR2KMT2ASIRT1 | |
| SCHEMBL12345520 | 0.81 | ALDH1A1 (0.65) | ALDH1A1CRHBPCRHR2KMT2ASIRT1 | |
| SCHEMBL2074007 | 0.81 | ALDH1A1 (0.65) | ALDH1A1CRHBPCRHR2KMT2ASIRT1 | |
| SCHEMBL22409612 | 0.80 | APP (0.61) | ALDH1A1CRHBPCRHR2KMT2AMEN1 | |
| SCHEMBL22409614 | 0.80 | APP (0.61) | ALDH1A1CRHBPCRHR2KMT2AMEN1 | |
| SCHEMBL3076077 | 0.79 | KMT2A (0.65) | ALDH1A1CRHBPCRHR2KMT2AMAPT | |
| SCHEMBL9196949 | 0.79 | ALDH1A1 (1.00) | ALDH1A1CRHBPCRHR2KMT2AHPGD |
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 8 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 |
| EP-2349999-B1 | ALLOSTERIC PROTEIN KINASE MODULATORS | UNIV SAARLAND (DE) | 2016-01-27 | — | — | EP | disclosed |
| US-8912186-B2 | Allosteric protein kinase modulators | UNIVERSITAET DES SAARLANDES (DE) | 2014-12-16 | — | — | US | disclosed |
| US-20120046307-A1 | ALLOSTERIC PROTEIN KINASE MODULATORS | UNIVERSITAET DES SAARLANDES (DE) | 2012-02-23 | — | — | US | disclosed |
| EP-2349999-A1 | ALLOSTERIC PROTEIN KINASE MODULATORS | Universität des Saarlandes (DE) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010043711-A1 | ALLOSTERIC PROTEIN KINASE MODULATORS | UNIVERSITAET DES SAARLANDES (DE) | 2010-04-22 | — | — | WO | disclosed |
| EP-2177510-A1 | Allosteric protein kinase modulators | Universität des Saarlandes (DE) | 2010-04-21 | — | — | EP | 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 (3 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 7/4885CRHBP 3904/4885CRHR2 3663/4885 |
| US-20120046307-A1 | ALLOSTERIC PROTEIN KINASE MODULATORS | AURKC, AURKA, AURKB | ALDH1A1 4784/4885CRHBP 2901/4885CRHR2 4615/4885 |
| US-20200290975-A1 | ANTICANCER 1,3-DIOXANE-4,6-DIONE DERIVATIVES AND METHOD OF COMBINATORIAL SYNTHESIS THEREOF | PDK1, PDHA1, PDHA2 | ALDH1A1 7/4885CRHBP 3904/4885CRHR2 3663/4885 |
“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.