Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 19/20 | 0.67 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.65 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.65 |
| ▸ | NCOR1 | O75376 | 2/20 | 0.65 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.61 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.61 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.61 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.61 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.61 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.61 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.61 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.61 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL23962939 | 0.93 | HDAC1 (0.59) | HDAC1HDAC3HDAC2NCOR1HDAC4 | |
| SCHEMBL28638759 | 0.90 | HDAC1 (0.70) | HDAC1HDAC3HDAC2NCOR1HDAC4 | |
| SCHEMBL23962940 | 0.89 | HDAC1 (0.69) | HDAC1HDAC3HDAC2NCOR1HDAC4 | |
| SCHEMBL23962733 | 0.88 | HDAC1 (0.68) | HDAC1HDAC3HDAC2NCOR1HDAC4 | |
| SCHEMBL23962732 | 0.87 | HDAC1 (0.73) | HDAC1HDAC3HDAC2NCOR1HDAC4 | |
| SCHEMBL210511 | 0.86 | HDAC1 (0.67) | HDAC1HDAC3HDAC2NCOR1HDAC4 | |
| SCHEMBL28378094 | 0.80 | HDAC1 (1.00) | HDAC1HDAC3HDAC2NCOR1 | |
| SCHEMBL23962731 | 0.80 | HDAC1 (0.57) | HDAC1HDAC3HDAC2NCOR1HDAC4 | |
| SCHEMBL1060807 | 0.80 | HDAC1 (1.00) | HDAC1HDAC3HDAC2NCOR1HDAC4 | |
| SCHEMBL23929029 | 0.79 | HDAC1 (0.69) | HDAC1HDAC3HDAC2NCOR1HDAC4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113549057-A | Snail inhibitor and derivative thereof, preparation method, pharmaceutical composition and application | 中国药科大学 | 2021-10-26 | — | — | CN | claimed |
| CN-113549057-B | Snail inhibitor and derivative thereof, preparation method, pharmaceutical composition and application | 中国药科大学 | 2023-01-31 | — | — | CN | disclosed |
| CN-113549057-A | Snail inhibitor and derivative thereof, preparation method, pharmaceutical composition and application | 中国药科大学 | 2021-10-26 | — | — | CN | disclosed |