Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC7 | O00311 | 1/20 | 0.45 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.45 |
| ▸ | DHODH | Q02127 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 5/20 | 0.40 |
| ▸ | CTSA | P10619 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Ethyl Acetate SCHEMBL27263183 | 0.96 | CDC7 (0.45) | CDC7DBF4DHODHLMNACTSA | |
| Ethyl Acetate SCHEMBL27778289 | 0.94 | CDC7 (0.44) | CDC7DBF4DHODHLMNACTSA | |
| Ethyl Acetate SCHEMBL27447758 | 0.94 | CDC7 (0.44) | CDC7DBF4DHODHLMNACTSA | |
| Acetic Acid Propyl Ester SCHEMBL27803486 | 0.85 | LMNA (0.43) | CDC7DBF4DHODHLMNACTSA | |
| Acetic Acid Butyl Ester SCHEMBL27443716 | 0.83 | ALDH1A1 (0.47) | DHODHALDH1A1TDP1KDM4ECYP3A4 | |
| Acetic Acid SCHEMBL27690930 | 0.82 | DHODH (0.49) | DHODHLMNACTSAALDH1A1SMN1; SMN2 | |
| E1501 SCHEMBL28758534 | 0.82 | ALDH1A1 (0.61) | DHODHLMNAALDH1A1SMN1; SMN2TDP1 | |
| Acetic Acid Methyl Ester SCHEMBL27352057 | 0.81 | DHODH (0.51) | DHODHLMNAALDH1A1SMN1; SMN2KDM4E | |
| Acetic Acid SCHEMBL27614844 | 0.81 | CYP2A6 (0.54) | DHODHLMNACTSASMN1; SMN2HPGD | |
| SCHEMBL28799676 | 0.80 | DHODH (0.41) | DHODHCTSAALDH1A1SMN1; SMN2CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109809989-A | A kind of synthetic method of ethyl acetate | 雷萌 | 2019-05-28 | — | — | CN | claimed |
| CN-109809989-A | A kind of synthetic method of ethyl acetate | 雷萌 | 2019-05-28 | — | — | CN | disclosed |
| CN-109809989-A | A kind of synthetic method of ethyl acetate | 雷萌 | 2019-05-28 | — | — | CN | disclosed |