Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | MMP8 | P22894 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | SLC15A1 | P46059 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27615708 | 0.82 | ALDH1A1 (0.51) | ALDH1A1MAPK1L3MBTL1MMP8KMT2A | |
| SCHEMBL28216125 | 0.81 | ALDH1A1 (0.47) | ALDH1A1MAPK1L3MBTL1MMP8KMT2A | |
| SCHEMBL27620639 | 0.77 | ALDH1A1 (0.51) | ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2 | |
| SCHEMBL7039337 | 0.76 | ALDH1A1 (0.51) | ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2 | |
| SCHEMBL7346908 | 0.76 | ALDH1A1 (0.51) | ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2 | |
| SCHEMBL16222648 | 0.75 | ALDH1A1 (0.47) | ALDH1A1MAPK1L3MBTL1MMP8KMT2A | |
| SCHEMBL16222783 | 0.75 | ALDH1A1 (0.47) | ALDH1A1MAPK1L3MBTL1MMP8KMT2A | |
| SCHEMBL16222712 | 0.75 | ALDH1A1 (0.47) | ALDH1A1MAPK1L3MBTL1MMP8KMT2A | |
| SCHEMBL8694065 | 0.75 | ALDH1A1 (0.55) | ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2 | |
| SCHEMBL28010869 | 0.75 | ALDH1A1 (0.55) | ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2 |
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-106163509-B | β -substituted β -amino acids and analogs as chemotherapeutic agents | 夸德里加生物科学公司 | 2019-05-03 | — | — | CN | disclosed |
| CN-108026026-A | Beta-amino acids and analog and its application as the β-substituted of chemotherapeutics | 夸德里加生物科学公司 | 2018-05-11 | — | — | CN | disclosed |