Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | OGG1 | O15527 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | PREP | P48147 | 2/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3817587 | 0.96 | ALDH1A1 (0.44) | ALDH1A1KDM4EHPGDTDP1TSHR | |
| SCHEMBL3816498 | 0.91 | ALDH1A1 (0.44) | ALDH1A1KDM4EHPGDTDP1TSHR | |
| SCHEMBL3811762 | 0.88 | ALDH1A1 (0.43) | ALDH1A1KDM4EHPGDTDP1TSHR | |
| SCHEMBL3812235 | 0.87 | SLC6A2 (0.44) | ALDH1A1KDM4EHPGDTDP1TSHR | |
| SCHEMBL3813701 | 0.85 | KDM4E (0.41) | ALDH1A1KDM4EHPGDTDP1TSHR | |
| SCHEMBL3821621 | 0.85 | ALDH1A1 (0.41) | ALDH1A1KDM4EHPGDTDP1TSHR | |
| SCHEMBL3815584 | 0.83 | ALDH1A1 (0.39) | ALDH1A1KDM4EHPGDTDP1TSHR | |
| SCHEMBL3813536 | 0.81 | SLC6A4 (0.45) | HPGDHTTSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL31404067 | 0.79 | KDM4E (0.62) | ALDH1A1KDM4EHPGDTDP1TSHR | |
| SCHEMBL3820899 | 0.77 | SLC6A4 (0.48) | HPGDHTTSLC6A2SLC6A4SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2089354-A1 | NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | Korea Research Institute Of Chemical Technology (KR) | 2009-08-19 | — | — | EP | disclosed |
| WO-2008054154-A1 | NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2008-05-08 | — | — | WO | disclosed |