Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPID | Q08752 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | NAMPT | P43490 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28020416 | 0.86 | PPID (0.50) | PPIDCYP2C19MAPTNAMPTMEN1 | |
| SCHEMBL28020411 | 0.86 | PPID (0.50) | PPIDCYP2C19MAPTNAMPTMEN1 | |
| SCHEMBL6067609 | 0.77 | CES2 (0.51) | CYP2C19MAPTMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL11169677 | 0.73 | PPID (0.60) | PPIDCYP2C19L3MBTL1MAPTNAMPT | |
| SCHEMBL28820145 | 0.72 | KMT2A (0.46) | L3MBTL1MAPTMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL28820146 | 0.72 | KMT2A (0.46) | L3MBTL1MAPTMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL23332556 | 0.72 | MAPT (0.53) | MAPTMEN1KMT2ASMN1; SMN2CES2 | |
| SCHEMBL28019981 | 0.71 | CYP2C9 (0.50) | CYP2C19MAPTMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL28633508 | 0.71 | PPID (0.57) | PPIDCYP2C19L3MBTL1MAPTNAMPT | |
| SCHEMBL28019983 | 0.71 | CYP2C9 (0.50) | CYP2C19MAPTMEN1KMT2ASMN1; SMN2 |
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-103910644-B | Beta-enaminone ester compounds, and synthesis method and application of beta-enaminone ester compounds | UNIV GUANGXI NORMAL | 2015-06-24 | — | — | CN | disclosed |