Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21261777 | 0.83 | ALDH1A1 (0.43) | ALDH1A1KMT2AHPGDMEN1TP53 | |
| SCHEMBL29128940 | 0.83 | OTC (0.53) | ALDH1A1TP53SMN1; SMN2CYP1A2 | |
| SCHEMBL31207026 | 0.83 | OTC (0.53) | ALDH1A1TP53SMN1; SMN2CYP1A2 | |
| SCHEMBL14984047 | 0.83 | ALDH1A1 (0.50) | ALDH1A1KMT2AHPGDMEN1TP53 | |
| SCHEMBL14217283 | 0.82 | MEN1 (0.63) | LTA4HKMT2ABLMACE2MEN1 | |
| SCHEMBL20900404 | 0.82 | MEN1 (0.63) | LTA4HKMT2ABLMACE2MEN1 | |
| SCHEMBL21261703 | 0.82 | FOLH1 (0.48) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL20581925 | 0.81 | ALDH1A1 (0.50) | ALDH1A1KMT2AHPGDMEN1TP53 | |
| SCHEMBL20581926 | 0.81 | ALDH1A1 (0.50) | ALDH1A1KMT2AHPGDMEN1TP53 | |
| SCHEMBL16828262 | 0.81 | LTA4H (0.43) | ALDH1A1LTA4HKMT2AHPGDBLM |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019104851-A4 | BETA-HYDROXYBUTYRYL-AMINO ACID COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 刘成 | 2019-08-15 | — | — | WO | disclosed |