Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SYK | P43405 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | TYR | P14679 | 1/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.43 |
| ▸ | BRAF | P15056 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10828998 | 0.86 | KMT2A (0.46) | ADORA1PIK3CABRAFPOLBL3MBTL1 | |
| SCHEMBL25449359 | 0.84 | ADORA1 (0.43) | ADORA1PIK3CABRAFPOLBL3MBTL1 | |
| SCHEMBL30216052 | 0.84 | MAPT (0.46) | ADORA1PIK3CABRAFPOLBL3MBTL1 | |
| SCHEMBL21864813 | 0.84 | MAPT (0.46) | ADORA1PIK3CABRAFPOLBL3MBTL1 | |
| SCHEMBL21864960 | 0.77 | TYR (0.45) | ADORA1TYRL3MBTL1MEN1KMT2A | |
| SCHEMBL21864818 | 0.76 | DGAT1 (0.41) | ADORA1PIK3CAPOLBF2 | |
| SCHEMBL30161251 | 0.76 | DGAT1 (0.41) | ADORA1PIK3CAPOLBF2 | |
| SCHEMBL25453515 | 0.72 | PIK3CA (0.34) | ADORA1PIK3CABRAFPOLB | |
| SCHEMBL21864812 | 0.72 | AOC3 (0.61) | — | |
| SCHEMBL6651265 | 0.72 | ADORA1 (0.48) | ADORA1POLBMEN1KMT2AMAPT |
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-2020063854-A1 | QUINOLINE-BASED DERIVATIVES AS VAP-1 INHIBITORS | 南京明德新药研发有限公司 | 2020-04-02 | — | — | WO | disclosed |