Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLYCD | O95822 | 2/20 | 0.33 |
| ▸ | FAAH | O00519 | 8/20 | 0.32 |
| ▸ | CES2 | O00748 | 3/20 | 0.31 |
| ▸ | CES1 | P23141 | 5/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5344964 | 0.82 | MLYCD (0.37) | MLYCDFAAHCES2CES1MEN1 | |
| SCHEMBL3928482 | 0.79 | FAAH (0.41) | FAAHCES2CES1MEN1CYP1A2 | |
| SCHEMBL5004257 | 0.76 | FAAH (0.38) | MLYCDFAAHCES2CES1MEN1 | |
| SCHEMBL22042214 | 0.74 | CHRM2 (0.31) | — | |
| SCHEMBL7704563 | 0.74 | MLYCD (0.40) | MLYCD | |
| SCHEMBL28954186 | 0.73 | HTT (0.35) | KMT2A | |
| SCHEMBL3944363 | 0.72 | KDM6B (0.36) | — | |
| SCHEMBL8905925 | 0.71 | PPIP5K2 (0.35) | MLYCDFAAHCES2CES1MEN1 | |
| SCHEMBL7707571 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL4340641 | 0.71 | ALDH1A1 (0.38) | MEN1KMT2AHSD17B10 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114805289-B | Preparation method of 1, 4-oxathia-3, 5-dialdehyde cyclohexadiene compound | 昆明理工大学 | 2024-05-28 | — | — | CN | claimed |
| CN-116082203-A | Shulin acid intermediate impurity and preparation method thereof | 宁波大红鹰药业股份有限公司 | 2023-05-09 | — | — | CN | claimed |
| CN-114805289-A | Preparation method of 1, 4-oxathia-3, 5-dialdehyde cyclohexadiene compound | 昆明理工大学 | 2022-07-29 | — | — | CN | claimed |
| CN-114805289-B | Preparation method of 1, 4-oxathia-3, 5-dialdehyde cyclohexadiene compound | 昆明理工大学 | 2024-05-28 | — | — | CN | disclosed |
| CN-116082203-A | Shulin acid intermediate impurity and preparation method thereof | 宁波大红鹰药业股份有限公司 | 2023-05-09 | — | — | CN | disclosed |
| CN-113336654-B | Preparation method of N-methyl-3- (2-methylphenoxy) amphetamine | 上海医药工业研究院 | 2022-12-09 | — | — | CN | disclosed |
| CN-114805289-A | Preparation method of 1, 4-oxathia-3, 5-dialdehyde cyclohexadiene compound | 昆明理工大学 | 2022-07-29 | — | — | CN | disclosed |
| CN-113336654-A | Preparation method of N-methyl-3- (2-methylphenoxy) amphetamine | 上海医药工业研究院 | 2021-09-03 | — | — | CN | disclosed |