Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 5/20 | 0.79 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.79 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.79 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.79 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.79 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.79 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.79 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.79 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.79 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.79 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.79 |
| ▸ | NR1H4 | Q96RI1 | 4/20 | 0.76 |
| ▸ | NPC1 | O15118 | 2/20 | 0.60 |
| ▸ | MAPT | P10636 | 2/20 | 0.60 |
| ▸ | HPGD | P15428 | 2/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 1/20 | 0.57 |
| ▸ | PLAU | P00749 | 1/20 | 0.54 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL10207296 | 0.88 | HDAC6 (1.00) | HDAC1HDAC6HDAC2HDAC3HDAC8 | |
| SCHEMBL14885209 | 0.88 | NR1H4 (0.76) | HDAC1HDAC6HDAC2HDAC3HDAC8 | |
| SCHEMBL14894197 | 0.88 | NR1H4 (0.85) | HDAC1HDAC6HDAC2HDAC3HDAC8 | |
| SCHEMBL12588095 | 0.87 | HDAC1 (0.77) | HDAC1HDAC6HDAC2HDAC3HDAC8 | |
| SCHEMBL7322242 | 0.87 | NR1H4 (1.00) | HDAC1HDAC6HDAC2HDAC3HDAC8 | |
| SCHEMBL1149678 | 0.86 | NPC1 (0.62) | HDAC1HDAC6HDAC2HDAC3HDAC8 | |
| SCHEMBL8243848 | 0.85 | NR1H4 (0.76) | HDAC1HDAC6HDAC2HDAC3HDAC8 | |
| SCHEMBL21044728 | 0.85 | NR1H4 (0.76) | HDAC1HDAC6HDAC2HDAC3HDAC8 | |
| SCHEMBL21454774 | 0.84 | HDAC6 (0.75) | HDAC1HDAC6HDAC2HDAC3HDAC8 | |
| SCHEMBL11902028 | 0.84 | NR1H4 (0.79) | HDAC1HDAC6HDAC2HDAC3HDAC8 |
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-113831338-B | Histone deacetylase inhibitor and preparation method and application thereof | 中国海洋大学 | 2022-12-20 | — | — | CN | disclosed |