Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 12/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ADH1B | P00325 | 1/20 | 0.35 |
| ▸ | ADH1C | P00326 | 1/20 | 0.35 |
| ▸ | ADH1A | P07327 | 1/20 | 0.35 |
| ▸ | ADH4 | P08319 | 1/20 | 0.35 |
| ▸ | ADH7 | P40394 | 1/20 | 0.35 |
| ▸ | GBA1 | P04062 | 3/20 | 0.35 |
| ▸ | CASP2 | P42575 | 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 | |
|---|---|---|---|---|
| SCHEMBL22686759 | 0.84 | EPHX1 (0.41) | EPHX1ALDH1A1TSHRKDM4E | |
| SCHEMBL16390572 | 0.73 | EPHX1 (0.46) | EPHX1ALDH1A1TSHRKDM4EADH1B | |
| SCHEMBL16390218 | 0.73 | EPHX1 (0.46) | EPHX1ALDH1A1TSHRKDM4EADH1B | |
| SCHEMBL381606 | 0.73 | EPHX1 (0.46) | EPHX1ALDH1A1TSHRKDM4EADH1B | |
| SCHEMBL16390287 | 0.73 | EPHX1 (0.46) | EPHX1ALDH1A1TSHRKDM4EADH1B | |
| SCHEMBL9016915 | 0.73 | EPHX1 (0.46) | EPHX1ALDH1A1TSHRKDM4EADH1B | |
| SCHEMBL2236239 | 0.73 | EPHX1 (0.46) | EPHX1ALDH1A1TSHRKDM4EADH1B | |
| SCHEMBL16390247 | 0.73 | EPHX1 (0.46) | EPHX1ALDH1A1TSHRKDM4EADH1B | |
| SCHEMBL16638649 | 0.73 | EPHX1 (0.46) | EPHX1ALDH1A1TSHRKDM4EADH1B | |
| SCHEMBL16390227 | 0.73 | EPHX1 (0.46) | EPHX1ALDH1A1TSHRKDM4EADH1B |
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-113121370-A | Hexadecylaminobutanetriol compound, synthetic method and application thereof in anti-tumor and anti-fungal aspects | 无锡市第二人民医院 | 2021-07-16 | — | — | CN | disclosed |
| CN-113121370-A | Hexadecylaminobutanetriol compound, synthetic method and application thereof in anti-tumor and anti-fungal aspects | 无锡市第二人民医院 | 2021-07-16 | — | — | CN | disclosed |