Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | TDP2 | O95551 | 1/20 | 0.35 |
| ▸ | NSD2 | O96028 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.35 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.35 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | TIPARP | Q7Z3E1 | 1/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7424121 | 0.84 | — | — | |
| SCHEMBL20206843 | 0.83 | CYP1A2 (0.52) | CES1CYP1A2TDP2NSD2ABL1 | |
| SCHEMBL21479447 | 0.77 | ALOX15 (0.40) | CYP1A2BLMKDM4EALDH1A1MAOA | |
| Formic Acid SCHEMBL27997365 | 0.77 | TRIM24 (0.39) | MEN1BLMKMT2ATDP1KDM4E | |
| SCHEMBL2627037 | 0.75 | CYP2A6 (0.52) | CES1CYP1A2TDP2NSD2ABL1 | |
| SCHEMBL10665026 | 0.75 | CYP2A6 (0.52) | CES1CYP1A2TDP2NSD2ABL1 | |
| SCHEMBL9933161 | 0.74 | AHR (0.38) | CES1CYP1A2TDP2NSD2ABL1 | |
| SCHEMBL299664 | 0.74 | PDE3B (0.41) | CES1CYP1A2TDP2NSD2ABL1 | |
| SCHEMBL14062663 | 0.74 | MAPK14 (0.36) | CES1CYP1A2TDP2NSD2ABL1 | |
| SCHEMBL9948370 | 0.72 | ALOX15 (0.36) | CYP1A2ALDH1A1MAOADRD2DRD3 |
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-114716451-B | Frutinone compound and preparation method and application thereof | 长江大学 | 2023-11-17 | — | — | CN | disclosed |