Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | AAK1 | Q2M2I8 | 4/20 | 0.42 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.42 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.41 |
| ▸ | F10 | P00742 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 3/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | CA9 | Q16790 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18428103 | 1.00 | ATM (0.42) | ATMAAK1ITGB3ITGA2BHDAC8 | |
| SCHEMBL29255028 | 0.89 | AAK1 (0.45) | ATMAAK1ITGB3ITGA2BHDAC8 | |
| SCHEMBL29254971 | 0.89 | AAK1 (0.45) | ATMAAK1ITGB3ITGA2BHDAC8 | |
| SCHEMBL28777590 | 0.88 | AAK1 (0.46) | ATMAAK1ITGB3ITGA2BHDAC8 | |
| SCHEMBL18428084 | 0.86 | F10 (0.49) | ATMAAK1HDAC8HDAC3HDAC4 | |
| SCHEMBL28517888 | 0.86 | F10 (0.49) | ATMAAK1HDAC8HDAC3HDAC4 | |
| SCHEMBL18428039 | 0.83 | PPARG (0.48) | — | |
| SCHEMBL18428000 | 0.82 | AAK1 (0.58) | ATMAAK1HDAC8HDAC3HDAC4 | |
| SCHEMBL18427975 | 0.82 | AAK1 (0.50) | ATMAAK1HDAC8HDAC3HDAC4 | |
| SCHEMBL28523133 | 0.82 | AAK1 (0.50) | ATMAAK1HDAC8HDAC3HDAC4 |
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-108026026-B | Beta-substituted beta-amino acids and analogs as chemotherapeutic agents and uses thereof | 夸德里加生物科学公司 | 2021-02-09 | — | — | CN | disclosed |