Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 12/20 | 0.88 |
| ▸ | RECQL | P46063 | 2/20 | 0.65 |
| ▸ | NPC1 | O15118 | 2/20 | 0.64 |
| ▸ | RAB9A | P51151 | 2/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.64 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.51 |
| ▸ | MMP1 | P03956 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28395917 | 0.96 | HSD11B1 (0.81) | HSD11B1RECQLNPC1RAB9AALDH1A1 | |
| SCHEMBL12577229 | 0.94 | HSD11B1 (1.00) | HSD11B1RECQLNPC1RAB9AALDH1A1 | |
| SCHEMBL28547256 | 0.84 | HSD11B1 (0.72) | HSD11B1RECQLNPC1RAB9AALDH1A1 | |
| SCHEMBL452973 | 0.83 | HSD11B1 (0.77) | HSD11B1RECQLNPC1RAB9AALDH1A1 | |
| SCHEMBL28392126 | 0.82 | HSD11B1 (0.87) | HSD11B1RECQLNPC1RAB9AALDH1A1 | |
| SCHEMBL1464397 | 0.82 | HSD11B1 (0.64) | HSD11B1PTPN1MMP1 | |
| SCHEMBL28395918 | 0.81 | HSD11B1 (0.60) | HSD11B1RECQLNPC1RAB9AALDH1A1 | |
| SCHEMBL29609513 | 0.81 | HSD11B1 (0.74) | HSD11B1RECQLNPC1RAB9AALDH1A1 | |
| SCHEMBL4966036 | 0.80 | RECQL (0.73) | HSD11B1RECQLNPC1RAB9AALDH1A1 | |
| SCHEMBL28392708 | 0.80 | RECQL (0.73) | HSD11B1RECQLNPC1RAB9AALDH1A1 |
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-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 |