Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 3/20 | 0.45 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.45 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.44 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | NPC1 | O15118 | 5/20 | 0.42 |
| ▸ | CA12 | O43570 | 5/20 | 0.41 |
| ▸ | CA9 | Q16790 | 5/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1645976 | 0.85 | GABRA1 (0.43) | GABRA1GABRB2GABRB1GABRA3ALDH1A1 | |
| SCHEMBL1647154 | 0.85 | GABRA1 (0.43) | GABRA1GABRB2GABRB1GABRA3ALDH1A1 | |
| SCHEMBL1647084 | 0.83 | GABRA1 (0.41) | GABRA1GABRB2GABRB1GABRA3ALDH1A1 | |
| SCHEMBL1647086 | 0.83 | GABRA1 (0.41) | GABRA1GABRB2GABRB1GABRA3ALDH1A1 | |
| SCHEMBL1647087 | 0.83 | GABRA1 (0.41) | GABRA1GABRB2GABRB1GABRA3ALDH1A1 | |
| SCHEMBL1647005 | 0.79 | KDR (0.48) | ALDH1A1NPC1CA12CA9TP53 | |
| SCHEMBL29332783 | 0.75 | HTT (0.53) | ALDH1A1NPC1CA12CA9HPGD | |
| SCHEMBL6175085 | 0.74 | CA12 (0.62) | ALDH1A1NPC1CA12CA9MEN1 | |
| SCHEMBL1646424 | 0.73 | KDM4E (0.41) | GABRA1GABRB2GABRB1GABRA3ALDH1A1 | |
| SCHEMBL6052295 | 0.73 | NPC1 (0.66) | GABRB2ALDH1A1NPC1CA12CA9 |
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-2011043568-A2 | NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME | LG LIFE SCIENCES LTD. (KR) | 2011-04-14 | — | — | WO | disclosed |