Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 9/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.38 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | PRNP | P04156 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29558406 | 0.81 | CCR5 (0.34) | HDAC6HDAC1MEN1KMT2A | |
| SCHEMBL29558495 | 0.79 | HDAC6 (0.38) | HDAC6HDAC1ALDH1A1MEN1TSHR | |
| SCHEMBL21943233 | 0.76 | HDAC6 (0.51) | HDAC6HDAC1HDAC3HDAC2HDAC8 | |
| SCHEMBL5463791 | 0.72 | EPHX1 (0.48) | ALOX5EPHX1NPSR1CYP1A2CYP2C19 | |
| SCHEMBL6879552 | 0.72 | ALDH1A1 (0.55) | HDAC6HDAC1HDAC3HDAC2HDAC8 | |
| SCHEMBL18294907 | 0.69 | HDAC6 (0.51) | HDAC6HDAC1HDAC3HDAC2HDAC8 | |
| SCHEMBL28360398 | 0.69 | MAPT (0.52) | HDAC6HDAC1HDAC3HDAC2HDAC8 | |
| SCHEMBL19267853 | 0.66 | HDAC6 (0.54) | HDAC6HDAC1HDAC3HDAC2HDAC8 | |
| SCHEMBL28504884 | 0.66 | HDAC6 (0.75) | HDAC6HDAC1HDAC3HDAC2HDAC8 | |
| SCHEMBL19267854 | 0.66 | HDAC6 (0.58) | HDAC6HDAC1HDAC3HDAC2HDAC8 |
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-111943892-B | Histone deacetylase subtype inhibitor thioacetylarylamine compound and application thereof | 上海中泽医药科技有限公司 | 2022-04-05 | — | — | CN | claimed |
| CN-111943892-B | Histone deacetylase subtype inhibitor thioacetylarylamine compound and application thereof | 上海中泽医药科技有限公司 | 2022-04-05 | — | — | CN | disclosed |