Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.44 |
| ▸ | APP | P05067 | 1/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29004878 | 0.81 | ELANE (0.41) | ALDH1A1MAPTSMN1; SMN2GAA | |
| SCHEMBL29004891 | 0.76 | ALDH1A1 (0.38) | KEAP1ALDH1A1KMT2AMAPTSMN1; SMN2 | |
| SCHEMBL27979649 | 0.75 | TDP1 (0.59) | TDP1KEAP1ALDH1A1FFAR1APP | |
| SCHEMBL11278665 | 0.75 | TDP1 (0.59) | TDP1KEAP1ALDH1A1FFAR1APP | |
| SCHEMBL29086538 | 0.73 | TDP1 (0.73) | TDP1KEAP1ALDH1A1FFAR1APP | |
| SCHEMBL1739439 | 0.73 | TDP1 (0.73) | TDP1KEAP1ALDH1A1FFAR1APP | |
| SCHEMBL27708457 | 0.72 | TDP1 (0.58) | TDP1KEAP1ALDH1A1FFAR1KMT2A | |
| SCHEMBL27997408 | 0.72 | TDP1 (0.78) | TDP1KEAP1ALDH1A1FFAR1APP | |
| SCHEMBL337736 | 0.71 | TDP1 (0.70) | TDP1KEAP1ALDH1A1FFAR1APP | |
| SCHEMBL28182817 | 0.71 | TDP1 (1.00) | TDP1KEAP1ALDH1A1FFAR1APP |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113668004-B | Method for electrochemical synthesis of non-natural amino acid derivatives | 浙江工业大学 | 2023-05-23 | — | — | CN | disclosed |