Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | ACHE | P22303 | 3/20 | 0.46 |
| ▸ | FYN | P06241 | 2/20 | 0.46 |
| ▸ | AHR | P35869 | 2/20 | 0.46 |
| ▸ | LCK | P06239 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8955 | 0.77 | CYP1A2 (0.46) | ALDH1A1CYP1A2ACHEFYNAHR | |
| SCHEMBL12753 | 0.76 | ALDH1A1 (0.48) | ALDH1A1CYP1A2ACHEFYNAHR | |
| SCHEMBL29765599 | 0.76 | ALDH1A1 (0.48) | ALDH1A1CYP1A2ACHEFYNAHR | |
| Acenaphthene SCHEMBL28870353 | 0.74 | CYP1A2 (0.47) | ALDH1A1CYP1A2ACHEFYNAHR | |
| Cholanthrene SCHEMBL9048 | 0.72 | ALDH1A1 (0.65) | ALDH1A1CYP1A2ACHEFYNAHR | |
| SCHEMBL28783299 | 0.71 | CYP1A2 (0.62) | ALDH1A1CYP1A2ACHEFYNAHR | |
| SCHEMBL9347612 | 0.71 | CYP1A2 (0.55) | ALDH1A1CYP1A2ACHEFYNAHR | |
| SCHEMBL14875126 | 0.71 | PTPN22 (0.42) | ALDH1A1CYP1A2ACHEFYNAHR | |
| SCHEMBL2321840 | 0.69 | ALDH1A1 (0.62) | ALDH1A1CYP1A2ACHEFYNAHR | |
| SCHEMBL4846372 | 0.69 | ALDH1A1 (0.62) | ALDH1A1CYP1A2ACHEFYNAHR |
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-109384636-B | Hydrocarbon fuel-rich propellant and preparation method thereof | 湖北航天化学技术研究所 | 2020-09-22 | — | — | CN | claimed |