Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
| ▸ | CTSB | P07858 | 1/20 | 0.43 |
| ▸ | SRC | P12931 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28552020 | 1.00 | GPR52 (0.47) | GPR52CES2CES1MAOAMAOB | |
| SCHEMBL163962 | 0.80 | MAOA (0.50) | CES2CES1MAOAMAOBMEN1 | |
| SCHEMBL38664634 | 0.80 | KMO (0.48) | GPR52NR4A2 | |
| SCHEMBL12722992 | 0.79 | ALDH1A1 (0.50) | MAOAMAOBCNR2NPC1RAB9A | |
| SCHEMBL27438063 | 0.79 | ALDH1A1 (0.50) | MAOBPARP1MEN1KMT2ANPC1 | |
| SCHEMBL1515848 | 0.79 | CES2 (0.55) | GPR52CES2CES1CNR2PARP1 | |
| SCHEMBL28112060 | 0.78 | CES2 (0.50) | CES2MAOBMEN1KCNK3KMT2A | |
| SCHEMBL14257590 | 0.76 | AKR1C3 (0.54) | MAOBNR4A2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL14192031 | 0.76 | CES2 (0.50) | CES2CES1MAOAMAOBPARP1 | |
| SCHEMBL9843296 | 0.76 | CES2 (0.50) | CES2CES1MAOAMAOBPARP1 |
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 1 patent. 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 |