Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | LDHA | P00338 | 1/20 | 0.40 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.37 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.37 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17733 | 0.97 | ALDH1A1 (0.46) | ALDH1A1TDP1CYP2C19LDHASRR | |
| SCHEMBL28226381 | 0.84 | HDAC3 (0.42) | ALDH1A1TDP1CYP2C19CA2SLC22A6 | |
| SCHEMBL1924519 | 0.83 | ALDH1A1 (0.53) | ALDH1A1TDP1CYP2C19CA2CYP2D6 | |
| SCHEMBL29243915 | 0.80 | CYP2C19 (0.56) | ALDH1A1TDP1CYP2C19CA2CYP2D6 | |
| Hydrogen Peroxide SCHEMBL16799548 | 0.80 | CYP2C19 (0.56) | ALDH1A1TDP1CYP2C19CA2CYP2D6 | |
| SCHEMBL8729467 | 0.79 | ALDH1A1 (0.57) | ALDH1A1TDP1CYP2C19CA2CYP2D6 | |
| SCHEMBL1259907 | 0.79 | LDHA (0.40) | ALDH1A1TDP1CYP2C19LDHASRR | |
| SCHEMBL7781837 | 0.79 | LDHA (0.40) | ALDH1A1TDP1CYP2C19LDHASRR | |
| SCHEMBL6519391 | 0.78 | ALDH1A1 (0.34) | ALDH1A1TDP1CYP2C19LDHASRR | |
| 3-Methylbutanoic Acid SCHEMBL9180041 | 0.77 | — | — |
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-105705583-A | curable silicon composition and optical semiconductor device | 道康宁东丽株式会社 | 2016-06-22 | — | — | CN | disclosed |