Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | IKBKB | O14920 | 4/20 | 0.34 |
| ▸ | THRB | P10828 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | HTR1A | P08908 | 4/20 | 0.33 |
| ▸ | HTR2A | P28223 | 4/20 | 0.33 |
| ▸ | DRD2 | P14416 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | HRH1 | P35367 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28579641 | 0.93 | IKBKB (0.41) | HDAC3HDAC4HDAC1HDAC2HDAC8 | |
| SCHEMBL28582772 | 0.89 | HDAC3 (0.37) | HDAC3HDAC4HDAC1HDAC2HDAC8 | |
| SCHEMBL28583144 | 0.88 | HDAC6 (0.39) | HDAC3HDAC4HDAC1HDAC2HDAC8 | |
| SCHEMBL28576372 | 0.86 | HDAC3 (0.40) | HDAC3HDAC4HDAC1HDAC2HDAC8 | |
| SCHEMBL28580756 | 0.84 | HDAC3 (0.35) | HDAC3HDAC4HDAC1HDAC2HDAC8 | |
| SCHEMBL28576560 | 0.83 | HDAC3 (0.34) | HDAC3HDAC4HDAC1HDAC2HDAC8 | |
| SCHEMBL28568421 | 0.83 | HDAC3 (0.34) | HDAC3HDAC4HDAC1HDAC2HDAC8 | |
| SCHEMBL28915301 | 0.83 | HDAC3 (0.36) | HDAC3HDAC4HDAC1HDAC2HDAC8 | |
| SCHEMBL28588602 | 0.83 | IKBKB (0.40) | HDAC3HDAC4HDAC1HDAC2HDAC8 | |
| SCHEMBL28582707 | 0.82 | HDAC6 (0.44) | HDAC3HDAC4HDAC1HDAC2HDAC8 |
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-109384793-B | Thiol compound with HDAC6 inhibitory activity and application thereof | 沈阳药科大学 | 2021-05-07 | — | — | CN | claimed |
| CN-109384793-B | Thiol compound with HDAC6 inhibitory activity and application thereof | 沈阳药科大学 | 2021-05-07 | — | — | CN | disclosed |