Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.61 |
| ▸ | CES1 | P23141 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | EGFR | P00533 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.52 |
| ▸ | JAK1 | P23458 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL29683847 | 0.85 | CES2 (0.57) | CES2CES1KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL1163945 | 0.82 | CES2 (0.63) | CES2CES1KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL9038755 | 0.80 | CES2 (0.61) | CES2CES1KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL759389 | 0.80 | CES2 (0.61) | CES2CES1KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL12699944 | 0.80 | CES2 (0.67) | CES2CES1KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL28677091 | 0.79 | CES2 (0.50) | CES2CES1KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL15007511 | 0.78 | CES2 (0.59) | CES2CES1KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL2599186 | 0.78 | CES2 (0.59) | CES2CES1KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL8765818 | 0.77 | CES2 (0.57) | CES2CES1KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL2951738 | 0.77 | ALDH1A1 (0.62) | CES2CES1KDM4EALDH1A1SMN1; SMN2 |
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-112961043-B | Solvent-free preparation of alpha, alpha-dichloroketone | 重庆医科大学 | 2023-06-23 | — | — | CN | disclosed |
| CN-112961043-A | Preparation of alpha, alpha-dichloroketone under solvent-free condition | 重庆医科大学 | 2021-06-15 | — | — | CN | disclosed |