Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | NAMPT | P43490 | 6/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28570148 | 0.85 | NAMPT (0.41) | NAAANPC1NAMPTHDAC3HDAC4 | |
| SCHEMBL28573673 | 0.85 | HDAC6 (0.46) | NAAANPC1NAMPTHDAC3HDAC4 | |
| SCHEMBL28575703 | 0.82 | CCNA2 (0.39) | HDAC3HDAC4HDAC1HDAC2HDAC8 | |
| SCHEMBL28914562 | 0.81 | HDAC3 (0.36) | NAAANPC1NAMPTHDAC3HDAC4 | |
| SCHEMBL28574656 | 0.80 | HDAC3 (0.40) | HDAC3HDAC4HDAC1HDAC2HDAC8 | |
| SCHEMBL28568974 | 0.78 | HDAC3 (0.35) | HDAC3HDAC4HDAC1HDAC2HDAC8 | |
| SCHEMBL28576372 | 0.78 | HDAC3 (0.40) | HDAC3HDAC4HDAC1HDAC2HDAC8 | |
| SCHEMBL28582772 | 0.77 | HDAC3 (0.37) | HDAC3HDAC4HDAC1HDAC2HDAC8 | |
| SCHEMBL28582693 | 0.76 | HDAC3 (0.33) | HDAC3HDAC4HDAC1HDAC2HDAC8 | |
| SCHEMBL28577870 | 0.73 | NPC1 (0.42) | NPC1KDM4ETSHRRAB9A |
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 |