Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.42 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
| ▸ | HTR5A | P47898 | 1/20 | 0.35 |
| ▸ | APEX1 | P27695 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18403613 | 0.70 | PDK2 (0.43) | PDK2PDK4TDP1HSD17B10ALDH1A1 | |
| SCHEMBL22010250 | 0.69 | PDK2 (0.46) | PDK2PDK4TDP1HSD17B10ALDH1A1 | |
| SCHEMBL28560295 | 0.69 | GAA (0.39) | THRBTDP1HSD17B10ALDH1A1SMN1; SMN2 | |
| SCHEMBL3696570 | 0.68 | ALDH1A1 (0.44) | THRBTDP1HSD17B10ALDH1A1LMNA | |
| SCHEMBL6448185 | 0.68 | BRD4 (0.39) | PDK2PDK4THRBTDP1ALDH1A1 | |
| SCHEMBL31536413 | 0.68 | TDP1 (0.36) | PDK2PDK4THRBTDP1HSD17B10 | |
| SCHEMBL31536395 | 0.68 | TDP1 (0.36) | PDK2PDK4THRBTDP1HSD17B10 | |
| SCHEMBL28636696 | 0.68 | ALDH1A1 (0.45) | PDK2PDK4TDP1HSD17B10ALDH1A1 | |
| SCHEMBL30617766 | 0.68 | PDK2 (0.39) | PDK2PDK4THRBHSD17B10ALDH1A1 | |
| SCHEMBL29897781 | 0.68 | BRD4 (0.39) | PDK2PDK4THRBTDP1ALDH1A1 |
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-114437114-B | Application and preparation of diketopiperazine natural product and derivative and obtained derivative | 中国海洋大学 | 2023-02-03 | — | — | CN | disclosed |
| CN-114437114-A | Application and preparation of diketopiperazine natural product and derivative and obtained derivative | 中国海洋大学 | 2022-05-06 | — | — | CN | disclosed |