Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 2/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | STAT1 | P42224 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28437740 | 0.91 | P2RX3 (0.35) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL28435588 | 0.91 | MAPT (0.35) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL28371613 | 0.89 | ALDH1A1 (0.44) | MEN1KMT2AKDM4EHPGDALDH1A1 | |
| SCHEMBL28434779 | 0.87 | HDAC1 (0.36) | HDAC4HDAC1HDAC2KMT2AKDM4E | |
| SCHEMBL28372833 | 0.86 | PDE4D (0.45) | MEN1KMT2AKDM4EHPGDALDH1A1 | |
| SCHEMBL28377498 | 0.86 | ALDH1A1 (0.44) | MEN1KMT2AKDM4EHPGDALDH1A1 | |
| SCHEMBL28436691 | 0.86 | HDAC4 (0.46) | HDAC4MEN1KMT2AALDH1A1NPC1 | |
| SCHEMBL30632573 | 0.86 | MEN1 (0.52) | MEN1KMT2AKDM4EHPGDALDH1A1 | |
| SCHEMBL28372708 | 0.83 | PDE4D (0.45) | MEN1KMT2AKDM4EHPGDALDH1A1 | |
| SCHEMBL28886213 | 0.81 | ALDH1A1 (0.37) | MEN1KMT2AKDM4EALDH1A1RAB9A |
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-111333648-B | 8-substituted aromatic ring vinyl xanthine derivative and application thereof | 东莞市东阳光新药研发有限公司 | 2021-05-11 | — | — | CN | disclosed |
| CN-111333648-A | 8-substituted aromatic ring vinyl xanthine derivative and application thereof | 东莞市东阳光新药研发有限公司 | 2020-06-26 | — | — | CN | disclosed |