Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 12/20 | 1.00 |
| ▸ | NAMPT | P43490 | 11/20 | 1.00 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.59 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.59 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.58 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.58 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.58 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.58 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.58 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.58 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.58 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.58 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.58 |
| ▸ | NCOR1 | O75376 | 1/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.58 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.57 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL4256955 | 0.88 | HDAC1 (0.78) | HDAC1NAMPTHDAC3HDAC2HDAC4 | |
| SCHEMBL5515211 | 0.88 | HDAC1 (0.78) | HDAC1NAMPTHDAC3HDAC2HDAC4 | |
| SCHEMBL25722340 | 0.87 | HDAC1 (0.77) | HDAC1NAMPTHDAC3HDAC2HDAC4 | |
| SCHEMBL16892137 | 0.85 | HDAC1 (1.00) | HDAC1NAMPTHDAC3HDAC2HDAC4 | |
| SCHEMBL28161757 | 0.84 | HDAC1 (0.73) | HDAC1NAMPTHDAC3HDAC2HDAC4 | |
| SCHEMBL24086662 | 0.84 | HDAC1 (0.79) | HDAC1NAMPTHDAC3HDAC2HDAC4 | |
| SCHEMBL31412974 | 0.84 | HDAC1 (0.79) | HDAC1NAMPTHDAC3HDAC2HDAC4 | |
| SCHEMBL30227144 | 0.84 | HDAC1 (0.79) | HDAC1NAMPTHDAC3HDAC2HDAC4 | |
| SCHEMBL21232419 | 0.83 | HDAC4 (0.72) | HDAC1NAMPTHDAC2HDAC4NPC1 | |
| SCHEMBL30866084 | 0.81 | NAMPT (0.67) | HDAC1NAMPTNPC1RAB9A |
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-106916101-B | NAMPT/HDAC double-target inhibitor and preparation method thereof | 聚缘（上海）生物科技有限公司 | 2020-05-01 | — | — | CN | disclosed |