Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.46 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | DRD4 | P21917 | 2/20 | 0.40 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL31429063 | 0.90 | KIF11 (0.46) | HDAC3HDAC1HDAC2KIF11L3MBTL1 | |
| SCHEMBL27561769 | 0.84 | CES2 (0.43) | KIF11GAAALDH1A1 | |
| SCHEMBL11765643 | 0.80 | KIF11 (0.46) | HDAC3HDAC1HDAC2KIF11L3MBTL1 | |
| SCHEMBL27914577 | 0.80 | CYP2C19 (0.41) | CYP2C9KIF11L3MBTL1GAAMAPT | |
| SCHEMBL28905920 | 0.79 | CYP2C9 (0.51) | CYP2C9HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL27875267 | 0.77 | KIF11 (0.48) | CYP2C9HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL7565919 | 0.72 | CYP2C9 (0.50) | CYP2C9HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL4063599 | 0.72 | CYP2C19 (0.44) | KIF11MAPTDRD2DRD3ALDH1A1 | |
| SCHEMBL1131428 | 0.71 | ALDH1A1 (0.49) | CYP2C9KIF11L3MBTL1GAAMAPT | |
| SCHEMBL3927998 | 0.71 | ALDH1A1 (0.52) | KIF11L3MBTL1GAAMAPTDRD2 |
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-115073250-B | Sp-based 3 Method for synthesizing alpha-aryl acetic acid or alpha-fluoro carboxylic acid compound by fluorocarbon bond carboxylation reaction | 四川大学 | 2023-10-03 | — | — | CN | disclosed |
| CN-115073250-A | Based on sp 3 Method for synthesizing alpha-aryl acetic acid or alpha-fluorocarboxylic acid compound by virtue of carbon-fluorine bond carboxylation reaction | 四川大学 | 2022-09-20 | — | — | CN | disclosed |