Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CES1 | P23141 | 3/20 | 0.41 |
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | KDM5A | P29375 | 7/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 6/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | KDM5C | P41229 | 1/20 | 0.35 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28262589 | 0.92 | CES2 (0.45) | ALDH1A1CES1CES2TP53KDM5A | |
| SCHEMBL7468494 | 0.80 | CA2 (0.34) | ALDH1A1CA1CA2HPGD | |
| SCHEMBL11601302 | 0.79 | CA12 (0.40) | ALDH1A1CES1CES2TP53CA1 | |
| SCHEMBL29245616 | 0.78 | CES1 (0.52) | ALDH1A1CES1CES2MEN1FAAH | |
| SCHEMBL27342440 | 0.78 | CA2 (0.33) | ALDH1A1CA1CA2HPGD | |
| SCHEMBL28988024 | 0.78 | CES1 (0.52) | ALDH1A1CES1CES2MEN1FAAH | |
| SCHEMBL29245554 | 0.78 | CES1 (0.52) | ALDH1A1CES1CES2MEN1FAAH | |
| Hydrochloric Acid SCHEMBL28803592 | 0.77 | CES1 (0.50) | ALDH1A1CES1CES2MEN1FAAH | |
| SCHEMBL27455519 | 0.75 | CA1 (0.38) | ALDH1A1CES1CES2TP53CA1 | |
| SCHEMBL20285412 | 0.75 | CA1 (0.44) | ALDH1A1CES1CES2TP53CA1 |
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-110511141-B | Synthesis method of valproyl urea | 上海凌凯医药科技有限公司 | 2022-04-29 | — | — | CN | disclosed |