Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A9 | P48067 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | HPD | P32754 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
| ▸ | CFTR | P13569 | 1/20 | 0.33 |
| ▸ | CCR2 | P41597 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | LIPC | P11150 | 1/20 | 0.32 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 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 | |
|---|---|---|---|---|
| SCHEMBL28813339 | 0.81 | SLC6A9 (0.40) | SLC6A9CES2GAAKDM4EALDH1A1 | |
| SCHEMBL8630195 | 0.74 | SLC6A9 (0.38) | SLC6A9CES2GAAKDM4EALDH1A1 | |
| SCHEMBL8630198 | 0.74 | SLC6A9 (0.38) | SLC6A9CES2GAAKDM4EALDH1A1 | |
| SCHEMBL6751338 | 0.73 | SLC6A9 (0.41) | SLC6A9CES2KMT2AKDM4EALDH1A1 | |
| SCHEMBL29391001 | 0.73 | SLC6A9 (0.41) | SLC6A9CES2KMT2AKDM4EALDH1A1 | |
| SCHEMBL28813587 | 0.73 | LIPG (0.43) | SLC6A9CES2KDM4EALDH1A1HPGD | |
| SCHEMBL8886678 | 0.72 | GAA (0.40) | SLC6A9CES2KMT2AGAAKDM4E | |
| SCHEMBL28095379 | 0.72 | CES2 (0.49) | SLC6A9CES2KMT2AGAAKDM4E | |
| SCHEMBL18752097 | 0.71 | CACNA1B (0.41) | CES2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL6751351 | 0.71 | CES2 (0.47) | SLC6A9CES2GAAKDM4EALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104817510-B | A kind of preparation method of isoxazole compound | 北京颖泰嘉和生物科技股份有限公司 | 2017-07-07 | — | — | CN | disclosed |
| CN-104788272-B | The preparation method of dicarbapentaborane aromatic and preparation method thereof and dicarbapentaborane fragrant composition and isoxazole compound | 北京颖泰嘉和生物科技股份有限公司 | 2016-06-29 | — | — | CN | disclosed |
| CN-104817510-A | Isoxazole compound preparation method | NUTRICHEM CO LTD | 2015-08-05 | — | — | CN | disclosed |
| CN-104788272-A | Dicarbonyl aromatic compound and preparation method thereof, dicarbonyl aromatic composition and preparation method of isoxazole compound | NUTRICHEM CO LTD | 2015-07-22 | — | — | CN | disclosed |