Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | CFTR | P13569 | 1/20 | 0.35 |
| ▸ | PDE2A | O00408 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | JAK1 | P23458 | 1/20 | 0.33 |
| ▸ | TYK2 | P29597 | 1/20 | 0.33 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.32 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.32 |
| ▸ | HTR3B | O95264 | 2/20 | 0.32 |
| ▸ | HTR3A | P46098 | 2/20 | 0.32 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14533723 | 0.80 | JAK2 (0.47) | CES2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL17141748 | 0.78 | MEN1 (0.43) | CES2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL28415313 | 0.76 | CES2 (0.42) | CES2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL28987801 | 0.76 | CES2 (0.42) | CES2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL28410307 | 0.76 | CES2 (0.36) | CES2 | |
| SCHEMBL18611579 | 0.76 | CES2 (0.44) | CES2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL20259156 | 0.74 | CES2 (0.40) | CES2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL24137114 | 0.73 | ALDH1A1 (0.61) | CES2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL28409813 | 0.72 | ALDH1A1 (0.39) | KDM4EALDH1A1HPGDHSD17B10CYP2C19 | |
| SCHEMBL21852902 | 0.69 | CES2 (0.55) | CES2KDM4EALDH1A1HPGDHSD17B10 |
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-111171068-B | Preparation method of silicon spiro-compound | 中国科学院上海有机化学研究所 | 2021-12-14 | — | — | CN | disclosed |
| CN-111171068-A | Preparation method of silicon spiro-compound | 中国科学院上海有机化学研究所 | 2020-05-19 | — | — | CN | disclosed |