Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.30 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL19986474 | 0.89 | PDE4B (0.31) | PDE4BPDE3A | |
| SCHEMBL19986727 | 0.80 | HAO1 (0.37) | HAO1ALDH1A1HTTL3MBTL1GFER | |
| SCHEMBL19986658 | 0.77 | HAO1 (0.35) | HAO1ALDH1A1HTTL3MBTL1GFER | |
| SCHEMBL19986538 | 0.72 | KMT2A (0.60) | ALDH1A1HTTMAPT | |
| SCHEMBL19986720 | 0.71 | RAB9A (0.49) | ALDH1A1HTTPDE3AMAPT | |
| SCHEMBL19986537 | 0.68 | STK17A (0.34) | ALDH1A1HTTGFERMAPT | |
| SCHEMBL19986620 | 0.67 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL19986707 | 0.67 | STK17A (0.35) | HTT | |
| SCHEMBL19986473 | 0.63 | KMT2A (0.48) | ALDH1A1MAPT | |
| SCHEMBL19986472 | 0.63 | RAPGEF4 (0.30) | — |
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-2018050110-A1 | NOVEL CAPSID PROTEIN ASSEMBLY INHIBITOR | 正大天晴药业集团股份有限公司 | 2018-03-22 | — | — | WO | disclosed |