Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6129759 | 0.80 | TOP1 (0.37) | ALDH1A1MAPK1L3MBTL1LMNATSHR | |
| SCHEMBL19043286 | 0.78 | MBOAT4 (0.34) | ALDH1A1MAPK1L3MBTL1LMNATSHR | |
| SCHEMBL9157315 | 0.78 | PTPN1 (0.36) | LMNATSHRADH1BADH1CADH1A | |
| SCHEMBL3638266 | 0.75 | ALDH1A1 (0.56) | ALDH1A1MAPK1L3MBTL1LMNATSHR | |
| SCHEMBL16330120 | 0.75 | ALDH1A1 (0.56) | ALDH1A1MAPK1L3MBTL1LMNATSHR | |
| SCHEMBL16330124 | 0.75 | ALDH1A1 (0.56) | ALDH1A1MAPK1L3MBTL1LMNATSHR | |
| SCHEMBL1614849 | 0.74 | CETP (0.47) | ALDH1A1MAPK1L3MBTL1TSHRKMT2A | |
| SCHEMBL1614607 | 0.74 | CETP (0.47) | ALDH1A1MAPK1L3MBTL1TSHRKMT2A | |
| SCHEMBL18595451 | 0.73 | SLC6A2 (0.39) | ALDH1A1LMNATSHRKMT2ASLC6A2 | |
| SCHEMBL7526762 | 0.73 | ALDH1A1 (0.54) | ALDH1A1MAPK1L3MBTL1LMNATSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105732620-A | Indolizidine imino sugar, precursor compound thereof and preparation method and application of indolizidine imino sugar and precursor compound | 中国科学院化学研究所 | 2016-07-06 | — | — | CN | disclosed |