Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | SLC15A1 | P46059 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CDC25B | P30305 | 1/20 | 0.47 |
| ▸ | LTA4H | P09960 | 4/20 | 0.45 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.45 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.45 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL19511476 | 0.93 | ALDH1A1 (0.59) | ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A | |
| SCHEMBL6822910 | 0.87 | ALDH1A1 (0.56) | ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A | |
| SCHEMBL28704585 | 0.87 | SLC15A1 (0.63) | ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A | |
| SCHEMBL6822911 | 0.87 | ALDH1A1 (0.56) | ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A | |
| SCHEMBL20364073 | 0.87 | ALDH1A1 (0.56) | ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A | |
| SCHEMBL14119359 | 0.87 | SLC15A1 (0.63) | ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A | |
| SCHEMBL4624347 | 0.87 | ALDH1A1 (0.56) | ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A | |
| SCHEMBL30578035 | 0.86 | ALDH1A1 (0.51) | ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A | |
| SCHEMBL14823030 | 0.85 | SLC15A1 (0.57) | ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A | |
| Hydrochloric Acid SCHEMBL15928827 | 0.85 | SLC15A1 (0.62) | ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A |
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-104271227-B | Lysine glutamic acid dipeptidase derivant | 霍夫曼-拉罗奇有限公司 | 2016-12-28 | — | — | CN | disclosed |