Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.58 |
| ▸ | CES1 | P23141 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | SNCA | P37840 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 6/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.42 |
| ▸ | PLK1 | P53350 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 1/20 | 0.38 |
| ▸ | RXRB | P28702 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14756543 | 0.90 | CES2 (0.69) | CES2CES1ALDH1A1TRPA1TSHR | |
| SCHEMBL68719 | 0.90 | CES2 (0.69) | CES2CES1ALDH1A1TRPA1TSHR | |
| SCHEMBL68718 | 0.90 | CES2 (0.69) | CES2CES1ALDH1A1TRPA1TSHR | |
| SCHEMBL29178576 | 0.81 | CES2 (0.54) | CES2CES1ALDH1A1TRPA1TSHR | |
| Broparestrol SCHEMBL29375131 | 0.81 | ALDH1A1 (0.48) | CES2CES1ALDH1A1TP53SNCA | |
| SCHEMBL21241003 | 0.81 | ALDH1A1 (0.48) | ALDH1A1TP53SNCASMN1; SMN2ESR1 | |
| Broparestrol SCHEMBL146181 | 0.81 | ALDH1A1 (0.48) | CES2CES1ALDH1A1TP53SNCA | |
| SCHEMBL153348 | 0.78 | ALDH1A1 (0.50) | CES2CES1ALDH1A1TP53TRPA1 | |
| SCHEMBL14361865 | 0.77 | TP53 (0.59) | CES2CES1ALDH1A1TP53SMN1; SMN2 | |
| SCHEMBL20025283 | 0.77 | ALDH1A1 (0.44) | ALDH1A1TP53SNCASMN1; SMN2ESR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2839284-B1 | A MICROPARTICLE ASSEMBLY | NAT UNIV SINGAPORE (SG) | 2019-08-07 | — | — | EP | disclosed |