Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RECQL | P46063 | 2/20 | 0.49 |
| ▸ | CES1 | P23141 | 4/20 | 0.46 |
| ▸ | CES2 | O00748 | 3/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 6/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | NAAA | Q02083 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3730655 | 0.95 | RECQL (0.47) | RECQLCES1CES2HSD11B1L3MBTL1 | |
| SCHEMBL8761020 | 0.83 | RECQL (0.56) | RECQLCES1CES2HSD11B1L3MBTL1 | |
| SCHEMBL9645780 | 0.81 | CES2 (0.41) | CES1CES2TDP1NAAA | |
| SCHEMBL18903261 | 0.81 | CES1 (0.45) | RECQLCES1CES2HSD11B1L3MBTL1 | |
| SCHEMBL1516246 | 0.81 | MAPK1 (0.58) | RECQLCES1HSD11B1L3MBTL1MAPT | |
| SCHEMBL14079438 | 0.80 | HSD11B1 (0.49) | RECQLCES1HSD11B1L3MBTL1MAPT | |
| SCHEMBL9772329 | 0.79 | TSHR (0.46) | RECQLHSD11B1L3MBTL1TDP1LMNA | |
| SCHEMBL27948844 | 0.78 | L3MBTL1 (0.56) | CES1CES2HSD11B1L3MBTL1MAPT | |
| SCHEMBL2188285 | 0.77 | MAPT (0.54) | RECQLCES1HSD11B1L3MBTL1MAPT | |
| SCHEMBL6272762 | 0.76 | CES1 (0.42) | CES1CES2HSD11B1L3MBTL1MAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111978216-B | Preparation method of beta-carbonyl sulfone compound | 西南医科大学 | 2023-02-03 | — | — | CN | disclosed |
| CN-110981676-B | Method for preparing beta-ketosulfone compound through visible light mediated atoxic acid decarboxylation ketonization reaction | 西南大学 | 2022-09-30 | — | — | CN | disclosed |
| CN-111978216-A | Preparation method of beta-carbonyl sulfone compound | 西南医科大学 | 2020-11-24 | — | — | CN | disclosed |
| CN-110981676-A | Method for preparing β -ketosulfone compound through visible light mediated atoxic acid decarboxylation ketonization reaction | 西南大学 | 2020-04-10 | — | — | CN | disclosed |