Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Ethadione. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.70 |
| ▸ | ELANE | P08246 | 3/20 | 0.47 |
| ▸ | CTSG | P08311 | 2/20 | 0.47 |
| ▸ | PRTN3 | P24158 | 2/20 | 0.47 |
| ▸ | PGR | P06401 | 2/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | CTRC | Q99895 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | GMNN | O75496 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | THPO | P40225 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 1/20 | 0.30 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | MGLL | Q99685 | 1/20 | 0.30 |
| ▸ | CTSK | P43235 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Ethadione SCHEMBL35279 | 0.90 | ELANE (0.55) | LMNAELANECTSGPRTN3PGR | |
| Trimethadione SCHEMBL28882 | 0.84 | LMNA (1.00) | LMNAELANECTSGPRTN3PGR | |
| SCHEMBL14009928 | 0.79 | LMNA (0.54) | LMNAELANECTSGPRTN3PGR | |
| Paramethadione SCHEMBL23832172 | 0.78 | LMNA (0.70) | LMNAELANECTSGPRTN3PGR | |
| Trimethadione SCHEMBL13724328 | 0.76 | LMNA (0.83) | LMNAELANECTSGPRTN3PGR | |
| SCHEMBL14009929 | 0.76 | LMNA (0.50) | LMNAELANECTSGPRTN3ALDH1A1 | |
| SCHEMBL4756222 | 0.73 | LMNA (0.52) | LMNAELANECTSGPRTN3AR | |
| SCHEMBL5006337 | 0.73 | ELANE (0.54) | LMNAELANECTSGPRTN3AR | |
| SCHEMBL13188868 | 0.73 | LMNA (0.52) | LMNAELANECTSGPRTN3AR | |
| SCHEMBL4757301 | 0.72 | ELANE (0.53) | LMNAELANECTSGPRTN3PGR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2699579-A1 | PYRAZOLO [4, 3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS | Origenis GmbH (DE) | 2014-02-26 | — | — | EP | disclosed |
| EP-2699572-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | Origenis GmbH (DE) | 2014-02-26 | — | — | EP | disclosed |
| WO-2012143143-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | ORIGENIS GMBH (DE) | 2012-10-26 | — | — | WO | disclosed |
| WO-2012143144-A1 | PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS | ORIGENIS GMBH (DE) | 2012-10-26 | — | — | WO | disclosed |