Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | RECQL | P46063 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.43 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2107223 | 0.86 | SMN1; SMN2 (0.57) | SMN1; SMN2HIF1ACES1CYP3A4CYP2C19 | |
| SCHEMBL20913002 | 0.79 | SMN1; SMN2 (0.50) | SMN1; SMN2HIF1ACES1CYP3A4CYP2C19 | |
| SCHEMBL28304897 | 0.79 | CTNNB1 (0.51) | SMN1; SMN2CES1TDP1CYP3A4CYP2C19 | |
| SCHEMBL7079424 | 0.79 | SMN1; SMN2 (0.50) | SMN1; SMN2HIF1ACES1CYP3A4CYP2C19 | |
| SCHEMBL3761802 | 0.77 | SMN1; SMN2 (0.57) | SMN1; SMN2HIF1ACES1TDP1CYP3A4 | |
| SCHEMBL7104524 | 0.77 | SLC6A2 (0.52) | SMN1; SMN2HIF1ACES1CYP3A4CYP2C19 | |
| SCHEMBL3494679 | 0.76 | SMN1; SMN2 (0.43) | SMN1; SMN2HIF1ACES1CYP3A4CYP2C19 | |
| SCHEMBL14518075 | 0.75 | SMN1; SMN2 (0.48) | SMN1; SMN2HIF1ACES1TDP1CYP3A4 | |
| SCHEMBL10666836 | 0.74 | SMN1; SMN2 (0.75) | SMN1; SMN2HIF1ACES1TDP1CYP3A4 | |
| SCHEMBL2225057 | 0.74 | SMN1; SMN2 (0.75) | SMN1; SMN2HIF1ACES1TDP1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114989035-A | Sulfuryl fluoride promoted reaction method for converting beta-diketone to alkyne | 扬州工业职业技术学院 | 2022-09-02 | — | — | CN | disclosed |