Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | CES1 | P23141 | 3/20 | 0.47 |
| ▸ | CES2 | O00748 | 2/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.45 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | IAPP | P10997 | 2/20 | 0.38 |
| ▸ | CTSD | P07339 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22110900 | 0.91 | ALDH1A1 (0.59) | ALDH1A1CES1CES2HDAC3HDAC1 | |
| SCHEMBL4084926 | 0.91 | ALDH1A1 (0.59) | ALDH1A1CES1CES2HDAC3HDAC1 | |
| SCHEMBL865687 | 0.90 | — | — | |
| SCHEMBL876374 | 0.90 | ALDH1A1 (0.64) | ALDH1A1CES1CES2HDAC3HDAC1 | |
| SCHEMBL10577 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL28498226 | 0.88 | ALDH1A1 (0.56) | ALDH1A1CES1CES2HDAC3HDAC1 | |
| SCHEMBL11458647 | 0.88 | ALDH1A1 (0.47) | ALDH1A1CES1CES2HDAC3HDAC1 | |
| Butanone SCHEMBL2972772 | 0.88 | ALDH1A1 (0.62) | ALDH1A1CES1CES2HDAC3HDAC1 | |
| Acetone SCHEMBL4590814 | 0.87 | CES1 (0.53) | ALDH1A1CES1CES2HDAC3HDAC1 | |
| Methyl Alcohol SCHEMBL10757259 | 0.87 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109771980-B | Heterogeneous azeotropic rectification method for separating mixture of 2-pentanone, 4-heptanone, water and carbon dioxide | 中国科学院山西煤炭化学研究所 | 2021-04-13 | — | — | CN | disclosed |
| CN-109771980-B | Heterogeneous azeotropic rectification method for separating mixture of 2-pentanone, 4-heptanone, water and carbon dioxide | 中国科学院山西煤炭化学研究所 | 2021-04-13 | — | — | CN | disclosed |