Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 4/20 | 0.69 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | ABHD6 | Q9BV23 | 2/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.43 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 3/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | NAMPT | P43490 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.41 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3009208 | 1.00 | ESR2 (0.69) | ESR2NR1H2MAPK1NPC1RAB9A | |
| SCHEMBL5127638 | 0.95 | NR1H2 (0.67) | ESR2NR1H2MAPK1NPC1RAB9A | |
| SCHEMBL30409049 | 0.95 | NR1H2 (0.67) | ESR2NR1H2MAPK1NPC1RAB9A | |
| SCHEMBL24215797 | 0.90 | ESR2 (0.53) | ESR2NR1H2MAPK1NPC1RAB9A | |
| SCHEMBL451998 | 0.88 | ESR2 (0.69) | ESR2NR1H2MAPK1ABHD6HDAC1 | |
| SCHEMBL30548176 | 0.88 | ESR2 (0.69) | ESR2NR1H2MAPK1ABHD6HDAC1 | |
| SCHEMBL3011371 | 0.83 | ESR2 (0.63) | ESR2NR1H2MAPK1ABHD6HDAC1 | |
| SCHEMBL2416879 | 0.82 | NR1H2 (0.67) | ESR2NR1H2MAPK1HDAC1DDB1 | |
| SCHEMBL29586616 | 0.82 | NR1H2 (0.67) | ESR2NR1H2MAPK1HDAC1DDB1 | |
| SCHEMBL450677 | 0.82 | ESR2 (1.00) | ESR2NR1H2MAPK1NPC1RAB9A |
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-116133658-A | Novel compounds as inhibitors of histone deacetylase 6 and pharmaceutical compositions comprising the same | 株式会社 钟根堂 | 2023-05-16 | — | — | CN | disclosed |