Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRB | P24530 | 1/20 | 0.39 |
| ▸ | EDNRA | P25101 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 3/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 4/20 | 0.36 |
| ▸ | PPARA | Q07869 | 3/20 | 0.36 |
| ▸ | PPARD | Q03181 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15993995 | 0.78 | PGR (0.46) | MEN1NPC1KMT2ACES1SRC | |
| SCHEMBL11371306 | 0.73 | CES1 (0.47) | MEN1NPC1KMT2ACES1SRC | |
| SCHEMBL28151722 | 0.73 | MEN1 (0.39) | MEN1NPC1KMT2ACES1SRC | |
| SCHEMBL1412641 | 0.72 | CES1 (0.51) | EDNRBEDNRAMEN1NPC1KMT2A | |
| SCHEMBL9004611 | 0.72 | CES1 (0.46) | MEN1NPC1KMT2ACES1SRC | |
| SCHEMBL34466536 | 0.72 | SRC (0.50) | MEN1NPC1KMT2ACES1SRC | |
| SCHEMBL7741777 | 0.72 | SRC (0.50) | MEN1NPC1KMT2ACES1SRC | |
| SCHEMBL11251806 | 0.72 | CES1 (0.46) | MEN1NPC1KMT2ACES1SRC | |
| SCHEMBL34466866 | 0.70 | CES1 (0.44) | MEN1NPC1KMT2ACES1SRC | |
| SCHEMBL10446200 | 0.70 | CES1 (0.53) | MEN1NPC1KMT2ACES1SRC |
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-108069847-B | Method for synthesizing trapbutine | 湖南尔康制药股份有限公司 | 2022-06-17 | — | — | CN | disclosed |