Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 8/20 | 0.60 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.60 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.60 |
| ▸ | LTA4H | P09960 | 2/20 | 0.54 |
| ▸ | NQO2 | P16083 | 1/20 | 0.52 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4998770 | 0.96 | ESR1 (0.65) | ESR1ESR2NR5A1LTA4HNQO2 | |
| SCHEMBL4998772 | 0.96 | ESR1 (0.65) | ESR1ESR2NR5A1LTA4HNQO2 | |
| SCHEMBL11656786 | 0.95 | TP53 (0.52) | ESR1ESR2NR5A1NQO2TP53 | |
| SCHEMBL11660429 | 0.95 | TP53 (0.52) | ESR1ESR2NR5A1NQO2TP53 | |
| SCHEMBL11659439 | 0.95 | TP53 (0.52) | ESR1ESR2NR5A1NQO2TP53 | |
| SCHEMBL11332814 | 0.94 | ALDH1A1 (0.52) | ESR1ESR2NR5A1LTA4HNQO2 | |
| SCHEMBL11332817 | 0.94 | ALDH1A1 (0.52) | ESR1ESR2NR5A1LTA4HNQO2 | |
| SCHEMBL10635627 | 0.91 | TP53 (0.49) | ESR1ESR2NR5A1NQO2TP53 | |
| SCHEMBL11656013 | 0.91 | TP53 (0.49) | ESR1ESR2NR5A1NQO2TP53 | |
| SCHEMBL10635633 | 0.91 | TP53 (0.49) | ESR1ESR2NR5A1NQO2TP53 |
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-109749737-B | Benzylidene hydrazine fluorescent probe for detecting copper ions as well as preparation method and application thereof | 福建师范大学 | 2021-07-23 | — | — | CN | disclosed |