Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XBP1 | P17861 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28189241 | 0.82 | ALDH1A1 (0.45) | XBP1ALDH1A1KMT2ALMNAGAA | |
| SCHEMBL28188595 | 0.82 | ALDH1A1 (0.45) | XBP1ALDH1A1KMT2ALMNAGAA | |
| SCHEMBL13588569 | 0.80 | MAPT (0.50) | XBP1ALDH1A1KMT2ALMNAGAA | |
| SCHEMBL7399387 | 0.78 | ALDH1A1 (0.46) | XBP1ALDH1A1KMT2ALMNAGAA | |
| SCHEMBL14452010 | 0.77 | TAAR1 (0.60) | XBP1ALDH1A1KMT2ALMNAGAA | |
| SCHEMBL30782878 | 0.77 | TAAR1 (0.60) | XBP1ALDH1A1KMT2ALMNAGAA | |
| SCHEMBL28188594 | 0.75 | ALDH1A1 (0.44) | XBP1ALDH1A1KMT2ALMNAGAA | |
| SCHEMBL28189242 | 0.75 | ALDH1A1 (0.44) | XBP1ALDH1A1KMT2ALMNAGAA | |
| SCHEMBL9683578 | 0.75 | ALDH1A1 (0.51) | XBP1ALDH1A1KMT2ALMNAGAA | |
| SCHEMBL13197463 | 0.75 | ALDH1A1 (0.51) | XBP1ALDH1A1KMT2ALMNAGAA |
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-105399719-B | A kind of pseudoephedrine analog derivative and preparation method and application | 王本军 | 2017-12-15 | — | — | CN | disclosed |
| CN-105461676-B | A kind of pseudoephedrine analog derivative and preparation method and application | 上海秉丰生物科技有限公司 | 2017-12-12 | — | — | CN | disclosed |