Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR4A2 | P43354 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL15766202 | 0.86 | NR4A2 (0.46) | NR4A2ALDH1A1GAAL3MBTL1HSD17B10 | |
| SCHEMBL4084280 | 0.83 | NR4A2 (0.53) | NR4A2ALDH1A1GAAL3MBTL1HSD17B10 | |
| SCHEMBL30058887 | 0.83 | NR4A2 (0.53) | NR4A2ALDH1A1GAAL3MBTL1HSD17B10 | |
| SCHEMBL16034830 | 0.82 | NR4A2 (0.48) | NR4A2ALDH1A1GAAL3MBTL1HSD17B10 | |
| SCHEMBL10154075 | 0.81 | SLC6A4 (0.43) | ALDH1A1SLC6A3SMN1; SMN2HPGDTSHR | |
| SCHEMBL10153655 | 0.81 | ABL1 (0.53) | NR4A2ALDH1A1SLC6A3SMN1; SMN2CHEK1 | |
| SCHEMBL18525601 | 0.78 | HSD17B10 (0.44) | NR4A2ALDH1A1GAAL3MBTL1HSD17B10 | |
| SCHEMBL22667294 | 0.77 | ALDH1A1 (0.39) | NR4A2ALDH1A1GAAL3MBTL1MAPT | |
| SCHEMBL9961071 | 0.77 | SMN1; SMN2 (0.57) | ALDH1A1HSD17B10SMN1; SMN2HPGDHTT | |
| SCHEMBL4577829 | 0.77 | NR4A2 (0.56) | NR4A2ALDH1A1GAAL3MBTL1HSD17B10 |
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-2012085003-A1 | 2-HYDROXYISOQUINOLINE-1,3(2H,4H)-DIONES AND RELATED COMPOUNDS USEFUL AS HIV REPLICATION INHIBITORS | KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) | 2012-06-28 | — | — | WO | disclosed |