Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 1/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 4/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 4/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16032766 | 0.82 | HDAC1 (0.48) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL1314645 | 0.82 | PTPN11 (0.43) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL850770 | 0.82 | SMN1; SMN2 (0.51) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL9394 | 0.81 | ALDH1A1 (0.50) | HDAC1HDAC6ALDH1A1KDM4EMAPT | |
| SCHEMBL29183399 | 0.81 | ALDH1A1 (0.39) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL23146389 | 0.80 | CDC7 (0.45) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL8336785 | 0.78 | KMO (0.37) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL12151093 | 0.78 | NPC1 (0.40) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL1849553 | 0.78 | GAA (0.45) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL23146302 | 0.78 | KDM4E (0.45) | HDAC3HDAC4HDAC1HDAC7HDAC2 |
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-116715639-A | O-phenylenediamine and hydrazide-based targeting HDAC/PD-L1 bifunctional molecule synthesis and application thereof | 南方医科大学 | 2023-09-08 | — | — | CN | disclosed |