Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | TGM2 | P21980 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28685238 | 0.83 | TGM2 (0.46) | ALDH1A1MAPTTGM2KDM4EHPGD | |
| SCHEMBL28697637 | 0.83 | MEN1 (0.41) | HDAC4HDAC7HDAC5SLC6A4SLC6A3 | |
| SCHEMBL5837445 | 0.83 | KMT2A (0.47) | ALDH1A1MAPTLMNAKDM4EHPGD | |
| SCHEMBL29126636 | 0.83 | TEAD1 (0.44) | TGM2NPSR1 | |
| SCHEMBL28691333 | 0.81 | HDAC4 (0.45) | HDAC4HDAC7HDAC5ALDH1A1GAA | |
| SCHEMBL28517755 | 0.75 | UGT2B7 (0.44) | ALDH1A1MAPTSLC6A4SLC6A3KDM4E | |
| SCHEMBL28425692 | 0.74 | — | — | |
| SCHEMBL2886386 | 0.73 | CYP2C19 (0.43) | HDAC8ALDH1A1MAPTLMNAKDM4E | |
| SCHEMBL18727672 | 0.72 | TSHR (0.41) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL21308979 | 0.72 | ALDH1A1 (0.40) | ALDH1A1MAPTGAAKDM4ECYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111689887-B | Copper/iridium concerted catalysis asymmetric allylation/2-aza-Cope rearrangement reaction and application thereof | 武汉大学 | 2022-04-01 | — | — | CN | disclosed |
| CN-114105822-A | Pseudo C2Symmetrical chiral diallyl substituted compound and preparation method and application thereof | 武汉大学 | 2022-03-01 | — | — | CN | disclosed |
| CN-112279770-A | Chiral alpha-polysubstituted-alpha-fluorine-containing homoallylamine compound, and preparation method and application thereof | 武汉大学 | 2021-01-29 | — | — | CN | disclosed |
| CN-111689887-A | Copper/iridium concerted catalysis asymmetric allylation/2-aza-Cope rearrangement reaction and application thereof | 武汉大学 | 2020-09-22 | — | — | CN | disclosed |