Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDPS | P14324 | 1/20 | 0.38 |
| ▸ | PTPRA | P18433 | 1/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.35 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 3/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27808924 | 0.77 | ROCK2 (0.36) | ROCK2ROCK1 | |
| SCHEMBL27545407 | 0.77 | FFAR1 (0.38) | — | |
| SCHEMBL28047241 | 0.76 | NOS2 (0.33) | ROCK2 | |
| SCHEMBL28787513 | 0.76 | ROCK1 (0.37) | NAMPTROCK2ROCK1 | |
| SCHEMBL27972554 | 0.76 | ROCK2 (0.41) | NAMPTROCK2SLC6A4 | |
| SCHEMBL27809130 | 0.75 | ALDH1A1 (0.35) | SMN1; SMN2KDM4EALDH1A1MAPT | |
| SCHEMBL27525176 | 0.75 | NOS2 (0.40) | NAMPT | |
| SCHEMBL28824812 | 0.74 | ALDH1A1 (0.36) | KDM4EALDH1A1MAPTTSHR | |
| SCHEMBL28868753 | 0.74 | LDHA (0.41) | SMN1; SMN2ALDH1A1NAMPTROCK2ROCK1 | |
| SCHEMBL23075459 | 0.73 | L3MBTL1 (0.50) | SMN1; SMN2ALDH1A1CYP1A2CYP2D6MAPT |
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-105849096-B | Piperidine derivatives having multimodal activity against pain | 埃斯蒂文制药股份有限公司 | 2019-11-29 | — | — | CN | disclosed |
| CN-105849096-A | Piperidine derivatives having multimodal activity against pain | 埃斯蒂文博士实验室股份有限公司 | 2016-08-10 | — | — | CN | disclosed |