Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28629862 | 0.77 | KMT2A (0.63) | ALDH1A1NPC1RAB9ANPSR1KMT2A | |
| SCHEMBL29924865 | 0.77 | KMT2A (0.63) | ALDH1A1NPC1RAB9ANPSR1KMT2A | |
| SCHEMBL7194392 | 0.74 | KEAP1 (0.57) | ALDH1A1KMT2APOLBKEAP1NFE2L2 | |
| SCHEMBL7063709 | 0.72 | KEAP1 (0.49) | ALDH1A1NPC1KMT2APOLBKEAP1 | |
| SCHEMBL28675951 | 0.72 | P2RX7 (0.37) | ALDH1A1NPC1RAB9ANPSR1KMT2A | |
| SCHEMBL31008661 | 0.72 | P2RX7 (0.37) | ALDH1A1NPC1RAB9ANPSR1KMT2A | |
| SCHEMBL4249241 | 0.72 | RECQL (0.39) | ALDH1A1NPC1RAB9ANPSR1KMT2A | |
| SCHEMBL29925045 | 0.71 | KMT2A (0.39) | ALDH1A1RAB9AKMT2AMEN1POLB | |
| SCHEMBL6097634 | 0.69 | KEAP1 (0.53) | ALDH1A1NPSR1KMT2AMEN1POLB | |
| SCHEMBL31003503 | 0.68 | ALDH1A1 (0.55) | ALDH1A1TP53TDP1PKMSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113307749-B | Method for synthesizing beta-ketosulfone derivative under mild condition and obtained beta-ketosulfone derivative | 佛山湘潭大学绿色智造研究院 | 2022-09-09 | — | — | CN | disclosed |
| CN-113307749-A | Method for synthesizing beta-ketosulfone derivative under mild condition and obtained beta-ketosulfone derivative | 佛山湘潭大学绿色智造研究院 | 2021-08-27 | — | — | CN | disclosed |