Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 9/20 | 0.91 |
| ▸ | PKM | P14618 | 1/20 | 0.74 |
| ▸ | RECQL | P46063 | 2/20 | 0.65 |
| ▸ | CES2 | O00748 | 1/20 | 0.56 |
| ▸ | CES1 | P23141 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | GSK3B | P49841 | 1/20 | 0.50 |
| ▸ | LTA4H | P09960 | 1/20 | 0.49 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL6908652 | 0.95 | HSD11B1 (1.00) | HSD11B1PKMRECQLCES2CES1 | |
| SCHEMBL28538242 | 0.85 | HSD11B1 (0.72) | HSD11B1PKMRECQLCES2CES1 | |
| SCHEMBL452973 | 0.83 | HSD11B1 (0.77) | HSD11B1RECQLALDH1A1NPC1RAB9A | |
| SCHEMBL8415518 | 0.82 | HSD11B1 (0.67) | HSD11B1PKMCES2CES1CA1 | |
| SCHEMBL29609513 | 0.81 | HSD11B1 (0.74) | HSD11B1RECQLALDH1A1NPC1RAB9A | |
| SCHEMBL30008266 | 0.81 | HSD11B1 (0.74) | HSD11B1PKMCES2CES1ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL8416593 | 0.80 | HSD11B1 (0.65) | HSD11B1PKMCES2CES1CA1 | |
| SCHEMBL4966036 | 0.80 | RECQL (0.73) | HSD11B1RECQLALDH1A1NPC1RAB9A | |
| SCHEMBL29236675 | 0.80 | HSD11B1 (0.73) | HSD11B1RECQLALDH1A1NPC1RAB9A | |
| SCHEMBL28392708 | 0.80 | RECQL (0.73) | HSD11B1RECQLALDH1A1NPC1RAB9A |
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-111978216-B | Preparation method of beta-carbonyl sulfone compound | 西南医科大学 | 2023-02-03 | — | — | CN | disclosed |
| CN-111978216-A | Preparation method of beta-carbonyl sulfone compound | 西南医科大学 | 2020-11-24 | — | — | CN | disclosed |