Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | STK10 | O94804 | 5/20 | 0.36 |
| ▸ | SLK | Q9H2G2 | 5/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.34 |
| ▸ | HTR2C | P28335 | 4/20 | 0.33 |
| ▸ | HTR2B | P41595 | 4/20 | 0.33 |
| ▸ | HTR2A | P28223 | 3/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 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 | |
|---|---|---|---|---|
| SCHEMBL31362875 | 0.73 | GSK3B (0.43) | CES1ALDH1A1GSK3BHTR2CHTR2B | |
| SCHEMBL9770082 | 0.70 | CHRNB2 (0.46) | CES1CHRNB2CHRNA4NOTUMHTR2C | |
| SCHEMBL30360556 | 0.69 | CES1 (0.56) | CES1STK10SLKALDH1A1GSK3B | |
| SCHEMBL594546 | 0.65 | CES1 (1.00) | CES1STK10SLKALDH1A1NOTUM | |
| SCHEMBL12424930 | 0.65 | CES1 (0.50) | CES1STK10SLKNOTUMKDM4E | |
| SCHEMBL20977669 | 0.65 | CES1 (0.63) | CES1STK10SLKALDH1A1GSK3B | |
| SCHEMBL30556308 | 0.64 | MAOA (0.41) | ALDH1A1GSK3BPARP1KDM4ESMN1; SMN2 | |
| Methane SCHEMBL28257010 | 0.64 | CES1 (0.96) | CES1STK10SLKALDH1A1NOTUM | |
| SCHEMBL28968225 | 0.62 | PNMT (0.41) | CES1CHRNB2CHRNA4NOTUMHTR2C | |
| Ethane SCHEMBL28094093 | 0.62 | CES1 (0.93) | CES1STK10SLKALDH1A1NOTUM |
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-115747843-A | Electrochemical preparation method for synthesizing fluoroisoquinoline-1,3-diketone compound through trifluoromethylation/cyclization | 兰州石化职业技术大学 | 2023-03-07 | — | — | CN | disclosed |