Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.49 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.49 |
| ▸ | LTA4H | P09960 | 2/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 2/20 | 0.46 |
| ▸ | PPARA | Q07869 | 2/20 | 0.46 |
| ▸ | HSD17B3 | P37058 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5531801 | 0.92 | ADORA3 (0.47) | ESR1TSHRLMNACYP1A2CYP2D6 | |
| SCHEMBL4550641 | 0.89 | PPARA (0.54) | TSHRLTA4HADORA3PPARGPPARA | |
| SCHEMBL5369095 | 0.85 | ADORA3 (0.60) | ESR1CYP1A2CYP2D6CYP2C19ESR2 | |
| SCHEMBL5141872 | 0.85 | ADORA3 (0.60) | ESR1CYP1A2CYP2D6CYP2C19ESR2 | |
| SCHEMBL5367947 | 0.85 | ADORA3 (0.60) | ESR1CYP1A2CYP2D6CYP2C19ESR2 | |
| SCHEMBL3966243 | 0.84 | PPARA (0.52) | TSHRLTA4HADORA3PPARGPPARA | |
| SCHEMBL10712455 | 0.83 | ADORA3 (0.43) | ESR1TSHRLMNACYP1A2CYP2D6 | |
| SCHEMBL29129794 | 0.83 | PPARG (0.51) | TSHRPPARGPPARATP53PSEN1 | |
| SCHEMBL10975149 | 0.82 | PPARG (0.55) | ESR1ESR2PPARGPPARA | |
| SCHEMBL28845860 | 0.80 | S1PR4 (0.48) | TSHRPPARGPPARATP53PSEN1 |
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-109867601-B | Preparation method of (R) -2- (4-hydroxyphenoxy) butyl propionate | 湖南速博生物技术有限公司 | 2021-05-28 | — | — | CN | disclosed |