Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.69 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.68 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.68 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.68 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.68 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.68 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 5/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.58 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.58 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.58 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.58 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.58 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.58 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL29936636 | 1.00 | NR1H4 (0.69) | NR1H4HDAC1HDAC3HDAC8HDAC4 | |
| SCHEMBL28799744 | 0.92 | NR1H4 (0.61) | NR1H4HDAC1HDAC3HDAC8HDAC4 | |
| SCHEMBL28869815 | 0.87 | NR1H4 (0.79) | NR1H4HDAC1HDAC3HDAC8HDAC4 | |
| SCHEMBL28869806 | 0.87 | NLRP3 (0.68) | NR1H4HDAC1HDAC3HDAC8HDAC4 | |
| SCHEMBL29936235 | 0.87 | NLRP3 (0.68) | NR1H4HDAC1HDAC3HDAC8HDAC4 | |
| SCHEMBL7311581 | 0.85 | HDAC1 (0.56) | NR1H4HDAC1HDAC3HDAC8HDAC4 | |
| SCHEMBL9367263 | 0.84 | NR1H4 (0.83) | NR1H4HDAC1HDAC3HDAC8HDAC4 | |
| SCHEMBL13533414 | 0.83 | NR1H4 (0.76) | NR1H4HDAC1HDAC3HDAC8HDAC4 | |
| SCHEMBL675578 | 0.83 | KMT2A (0.76) | HDAC1HDAC3HDAC8HDAC4HDAC6 | |
| SCHEMBL28869822 | 0.83 | RAB9A (0.71) | NR1H4HDAC1HDAC3HDAC8HDAC4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115093359-B | Compound, pharmaceutical composition and application thereof in field of vasodilation or antiviral | 山东第一医科大学(山东省医学科学院) | 2023-06-09 | — | — | CN | claimed |
| CN-115093359-A | Compound, pharmaceutical composition and application of compound and pharmaceutical composition in field of blood vessel expansion or virus resistance | 山东第一医科大学(山东省医学科学院) | 2022-09-23 | — | — | CN | claimed |
| CN-116478070-A | Compound, pharmaceutical composition and application thereof in field of vasodilation or antiviral | 山东第一医科大学(山东省医学科学院) | 2023-07-25 | — | — | CN | disclosed |
| CN-115093359-B | Compound, pharmaceutical composition and application thereof in field of vasodilation or antiviral | 山东第一医科大学(山东省医学科学院) | 2023-06-09 | — | — | CN | disclosed |
| CN-115093359-A | Compound, pharmaceutical composition and application of compound and pharmaceutical composition in field of blood vessel expansion or virus resistance | 山东第一医科大学(山东省医学科学院) | 2022-09-23 | — | — | CN | disclosed |