Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.56 |
| ▸ | PGR | P06401 | 7/20 | 0.53 |
| ▸ | TSPO | P30536 | 1/20 | 0.50 |
| ▸ | RORA | P35398 | 7/20 | 0.48 |
| ▸ | RORC | P51449 | 7/20 | 0.48 |
| ▸ | RORB | Q92753 | 7/20 | 0.48 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.47 |
| ▸ | DPP4 | P27487 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL21657947 | 0.99 | KDM4E (0.57) | KDM4ERCE1PGRTSPORORA | |
| SCHEMBL20227463 | 0.97 | KDM4E (0.58) | KDM4ERCE1PGRTSPORORA | |
| SCHEMBL13762061 | 0.90 | TSPO (0.52) | KDM4ERCE1TSPONPY5RALDH1A1 | |
| SCHEMBL13762060 | 0.90 | TSPO (0.52) | KDM4ERCE1TSPONPY5RALDH1A1 | |
| SCHEMBL13761793 | 0.87 | TSPO (0.56) | KDM4ERCE1TSPONPY5RALDH1A1 | |
| SCHEMBL13761791 | 0.87 | TSPO (0.56) | KDM4ERCE1TSPONPY5RALDH1A1 | |
| SCHEMBL13761828 | 0.87 | TSPO (0.56) | KDM4ERCE1TSPONPY5RALDH1A1 | |
| SCHEMBL13761788 | 0.87 | TSPO (0.56) | KDM4ERCE1TSPONPY5RALDH1A1 | |
| SCHEMBL13761829 | 0.87 | TSPO (0.56) | KDM4ERCE1TSPONPY5RALDH1A1 | |
| SCHEMBL13761830 | 0.87 | TSPO (0.56) | KDM4ERCE1TSPONPY5RALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018099846-A1 | COMPOUNDS HAVING VALEROLACTAM STRUCTURES | MERCK PATENT GMBH (DE) | 2018-06-07 | — | — | WO | disclosed |