Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 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 | |
|---|---|---|---|---|
| SCHEMBL6379719 | 0.83 | ENPP2 (0.48) | ENPP2CYP3A4CA12CA2CA9 | |
| SCHEMBL29028912 | 0.80 | CYP3A4 (0.46) | ENPP2CYP3A4CA12CA2CA9 | |
| SCHEMBL734634 | 0.79 | CA4 (0.46) | ENPP2CYP3A4CA2CA9CA14 | |
| SCHEMBL25213274 | 0.77 | CYP3A4 (0.50) | ENPP2CYP3A4CA12CA2CA9 | |
| SCHEMBL6610175 | 0.77 | ACHE (0.50) | ALDH1A1LMNADRD2DRD4TSHR | |
| SCHEMBL1302549 | 0.75 | CYP3A4 (0.48) | ENPP2CYP3A4CA12CA2CA9 | |
| SCHEMBL450261 | 0.73 | LTA4H (0.62) | CYP3A4CA12CA2CA9CA14 | |
| SCHEMBL2859448 | 0.73 | CYP3A4 (0.50) | ENPP2CYP3A4CA12CA2CA9 | |
| Hydroquinone SCHEMBL9791308 | 0.72 | CYP3A4 (0.46) | ENPP2CYP3A4CA12CA2CA9 | |
| SCHEMBL5841559 | 0.72 | ACHE (0.44) | ALDH1A1LMNADRD2DRD4DRD3 |
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-113968878-A | Hyperbranched boric acid modified phthalonitrile monomer and preparation method and application thereof | 中国科学院宁波材料技术与工程研究所 | 2022-01-25 | — | — | CN | disclosed |