Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 3/20 | 0.68 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.68 |
| ▸ | LTA4H | P09960 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.52 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL7937674 | 0.83 | HDAC1 (0.67) | HDAC1HDAC6MAPTNPC1RAB9A | |
| SCHEMBL29558905 | 0.82 | HDAC1 (0.72) | HDAC1HDAC6LTA4HMAPTKMT2A | |
| SCHEMBL28509075 | 0.81 | HDAC6 (1.00) | HDAC1HDAC6LTA4HMAPTKMT2A | |
| SCHEMBL253778 | 0.80 | HDAC1 (0.65) | HDAC1HDAC6MAPTKMT2AMEN1 | |
| Methane SCHEMBL7236825 | 0.79 | HDAC1 (0.62) | HDAC1HDAC6MAPTKMT2AMEN1 | |
| SCHEMBL4279654 | 0.79 | HDAC1 (0.62) | HDAC1HDAC6MAPTKMT2AMEN1 | |
| SCHEMBL1509976 | 0.78 | MEN1 (0.64) | HDAC1HDAC6MAPTKMT2AMEN1 | |
| SCHEMBL7124777 | 0.78 | MAPT (0.68) | HDAC1HDAC6LTA4HMAPTKMT2A | |
| SCHEMBL29330300 | 0.78 | RAB9A (0.69) | MAPTKMT2AMEN1L3MBTL1NPC1 | |
| Carbamic Acid SCHEMBL31418353 | 0.75 | KDM1A (0.59) | HDAC1HDAC6MAPTKMT2AMEN1 |
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 | disclosed |
| CN-111943892-A | Histone deacetylase subtype inhibitor thioacetylarylamine compound and application thereof | 上海中泽医药科技有限公司 | 2020-11-17 | — | — | CN | disclosed |