Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | SLC15A1 | P46059 | 2/20 | 0.49 |
| ▸ | MMP9 | P14780 | 1/20 | 0.48 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | CASP1 | P29466 | 2/20 | 0.44 |
| ▸ | CCR6 | P51684 | 1/20 | 0.44 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CDC25B | P30305 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28777999 | 1.00 | ALDH1A1 (0.51) | ALDH1A1MAPK1L3MBTL1SLC15A1MMP9 | |
| SCHEMBL14655691 | 1.00 | ALDH1A1 (0.51) | ALDH1A1MAPK1L3MBTL1SLC15A1MMP9 | |
| SCHEMBL14655530 | 0.92 | ALDH1A1 (0.50) | ALDH1A1MAPK1L3MBTL1SLC15A1MMP9 | |
| SCHEMBL14655531 | 0.92 | ALDH1A1 (0.50) | ALDH1A1MAPK1L3MBTL1SLC15A1MMP9 | |
| SCHEMBL2543367 | 0.91 | ALDH1A1 (0.51) | ALDH1A1MAPK1L3MBTL1SLC15A1MMP9 | |
| SCHEMBL21555767 | 0.88 | ALDH1A1 (0.51) | ALDH1A1MAPK1L3MBTL1SLC15A1MMP9 | |
| SCHEMBL9554766 | 0.87 | PPID (0.54) | ALDH1A1L3MBTL1MAPTKMT2AGAA | |
| SCHEMBL14481881 | 0.84 | MAPT (0.46) | ALDH1A1L3MBTL1TRPM8MAPTKMT2A | |
| SCHEMBL14481880 | 0.84 | MAPT (0.46) | ALDH1A1L3MBTL1TRPM8MAPTKMT2A | |
| SCHEMBL23901564 | 0.83 | ALDH1A1 (0.53) | ALDH1A1MAPK1L3MBTL1SLC15A1MMP9 |
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-102199102-B | Sitagliptin intermediate and preparation method and application thereof | ZHEJIANG JIUZHOU PHARM CO LTD | 2014-04-02 | — | — | CN | disclosed |
| EP-2551259-A1 | SITAGLIPTIN INTERMEDIATE COMPOUNDS, PREPARATION METHODS AND USES THEREOF | Zhejiang Jiuzhou Pharmaceutical Co., Ltd. (CN) | 2013-01-30 | — | — | EP | disclosed |
| CN-102811997-A | Sitagliptin intermediate compounds, preparation methods and uses thereof | ZHEJIANG JIUZHOU PHARM CO LTD | 2012-12-05 | — | — | CN | disclosed |
| CN-102199102-A | Sitagliptin intermediate and preparation method and application thereof | ZHEJIANG JIUZHOU PHARM CO LTD | 2011-09-28 | — | — | CN | disclosed |