Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 4/20 | 0.42 |
| ▸ | CES1 | P23141 | 4/20 | 0.42 |
| ▸ | NAAA | Q02083 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| Methacrylic Acid SCHEMBL25408911 | 0.87 | CES2 (0.41) | ALDH1A1PTGS2HIF1ACES2CES1 | |
| Benzoyl Chloride SCHEMBL8911642 | 0.81 | CES2 (0.50) | ALDH1A1PTGS2HIF1ACES2CES1 | |
| Benzoic Acid SCHEMBL28177809 | 0.80 | TSHR (0.58) | CES2CES1NAAA | |
| Benzoic Acid SCHEMBL28555692 | 0.80 | TSHR (0.58) | CES2CES1NAAA | |
| SCHEMBL59763 | 0.78 | TSHR (0.50) | ALDH1A1HIF1ACES2CES1ESR1 | |
| Benzil SCHEMBL28423462 | 0.76 | CES2 (0.63) | ALDH1A1PTGS2CES2CES1NAAA | |
| Chlorobenzene SCHEMBL8020577 | 0.75 | ALDH1A1 (0.50) | ALDH1A1PTGS2CES2CES1NAAA | |
| Biphenyl SCHEMBL4303462 | 0.74 | ALDH1A1 (0.55) | ALDH1A1PTGS2PCSK9SMN1; SMN2LMNA | |
| Chlorobenzene SCHEMBL28264407 | 0.74 | ALDH1A1 (0.48) | ALDH1A1PTGS2CES2CES1NAAA | |
| Benzene SCHEMBL515817 | 0.73 | ALDH1A1 (0.79) | ALDH1A1ESR1PCSK9SMN1; SMN2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023159843-A1 | HIERARCHICAL PORE STRUCTURE POLYMER MATERIAL AND PREPARATION METHOD THEREFOR | 陕西师范大学 | 2023-08-31 | — | — | WO | disclosed |