Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 9/20 | 0.51 |
| ▸ | THRB | P10828 | 1/20 | 0.51 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28602343 | 0.87 | CYP3A4 (0.47) | CYP3A4THRBHSP90AA1NPSR1CYP2C9 | |
| SCHEMBL28604617 | 0.87 | HSP90AA1 (0.47) | CYP3A4THRBHSP90AA1NPSR1CYP2C9 | |
| SCHEMBL28612956 | 0.87 | GAA (0.47) | CYP3A4THRBHSP90AA1NPSR1CYP2C9 | |
| SCHEMBL9087421 | 0.87 | CYP3A4 (0.52) | CYP3A4THRBHSP90AA1NPSR1CYP2C9 | |
| SCHEMBL28608939 | 0.85 | ALDH1A1 (0.47) | CYP3A4THRBHSP90AA1NPSR1CYP2C9 | |
| SCHEMBL11541071 | 0.84 | CYP3A4 (0.50) | CYP3A4THRBHSP90AA1NPSR1CYP2C9 | |
| SCHEMBL28604615 | 0.84 | HSP90AA1 (0.45) | CYP3A4THRBHSP90AA1NPSR1CYP2C9 | |
| SCHEMBL10594681 | 0.84 | CYP3A4 (0.48) | CYP3A4THRBHSP90AA1NPSR1CYP2C9 | |
| SCHEMBL28614551 | 0.84 | CYP3A4 (0.58) | CYP3A4THRBHSP90AA1NPSR1CYP2C9 | |
| SCHEMBL9567574 | 0.81 | CYP3A4 (0.52) | CYP3A4THRBHSP90AA1NPSR1CYP2C9 |
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-113234066-A | Propiconazole-like compound and preparation method and application thereof | 浙江工业大学 | 2021-08-10 | — | — | CN | disclosed |