Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.42 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.39 |
| ▸ | PDE5A | O76074 | 1/20 | 0.34 |
| ▸ | STK4 | Q13043 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MME | P08473 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12291485 | 0.86 | HDAC6 (0.39) | HDAC6CAPN1 | |
| SCHEMBL12291466 | 0.86 | HDAC6 (0.39) | HDAC6CAPN1 | |
| SCHEMBL12291469 | 0.84 | HDAC6 (0.38) | HDAC6CAPN1 | |
| SCHEMBL12291484 | 0.84 | HDAC6 (0.38) | HDAC6CAPN1 | |
| SCHEMBL13495745 | 0.76 | CAPN1 (0.34) | HDAC6CAPN1 | |
| SCHEMBL6078345 | 0.75 | HDAC6 (0.35) | HDAC6 | |
| SCHEMBL621539 | 0.75 | ABCB1 (0.39) | HDAC6ABCB1 | |
| SCHEMBL14134043 | 0.75 | ABCB1 (0.39) | HDAC6ABCB1 | |
| SCHEMBL12291471 | 0.72 | STK4 (0.34) | HDAC6PDE5ASTK4 | |
| SCHEMBL24661332 | 0.72 | HDAC6 (0.32) | HDAC6PIK3CD |
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-115536598-B | New synthesis method of 1, 4-dimethyl-2, 5-piperazine dione compound | 青岛科技大学 | 2024-04-02 | — | — | CN | disclosed |
| CN-115536598-A | Novel synthesis method of 1,4-dimethyl-2,5-piperazinedione compound | 青岛科技大学 | 2022-12-30 | — | — | CN | disclosed |