Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 4/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.46 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 2/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28907009 | 1.00 | HDAC4 (0.47) | HDAC4HDAC1HDAC8HDAC3HDAC7 | |
| SCHEMBL18428104 | 0.92 | HDAC4 (0.49) | HDAC4HDAC1HDAC8HDAC3HDAC7 | |
| SCHEMBL19715048 | 0.92 | HDAC4 (0.49) | HDAC4HDAC1HDAC8HDAC3HDAC7 | |
| SCHEMBL18472305 | 0.87 | HDAC4 (0.39) | HDAC4HDAC1HDAC8HDAC3HDAC7 | |
| SCHEMBL28511517 | 0.84 | CACNA1B (0.39) | EGFRCTSSCTSKCTSLCACNA1B | |
| SCHEMBL28511519 | 0.84 | CACNA1B (0.39) | EGFRCTSSCTSKCTSLCACNA1B | |
| SCHEMBL28515384 | 0.83 | AAK1 (0.40) | HDAC4HDAC1CA1CA2CA12 | |
| SCHEMBL16970734 | 0.83 | AAK1 (0.40) | HDAC4HDAC1CA1CA2CA12 | |
| SCHEMBL28515383 | 0.83 | AAK1 (0.40) | HDAC4HDAC1CA1CA2CA12 | |
| SCHEMBL28907026 | 0.80 | HDAC4 (0.53) | HDAC4HDAC1HDAC8HDAC3HDAC7 |
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 |