Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.38 |
| ▸ | DRD1 | P21728 | 2/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL31544485 | 0.79 | CYP3A4 (0.35) | CYP3A4TDP1ALDH1A1HPGD | |
| SCHEMBL20903826 | 0.78 | CYP3A4 (0.46) | CYP3A4TDP1ESR1ESR2DRD1 | |
| Benzene SCHEMBL28766229 | 0.76 | CYP3A4 (0.61) | CYP3A4TDP1DRD1TRPA1KDM4E | |
| SCHEMBL5172777 | 0.74 | CYP3A4 (0.46) | CYP3A4TDP1ESR1ESR2DRD1 | |
| SCHEMBL15431 | 0.73 | CYP3A4 (0.64) | CYP3A4TDP1DRD1TRPA1KDM4E | |
| SCHEMBL29395383 | 0.73 | CYP3A4 (0.64) | CYP3A4TDP1DRD1TRPA1KDM4E | |
| SCHEMBL9791083 | 0.72 | CYP3A4 (0.50) | CYP3A4TDP1ESR1ESR2TRPA1 | |
| Fluoride SCHEMBL28813057 | 0.71 | CYP3A4 (0.61) | CYP3A4TDP1DRD1TRPA1KDM4E | |
| Water SCHEMBL28526910 | 0.71 | CYP3A4 (0.61) | CYP3A4TDP1DRD1TRPA1KDM4E | |
| SCHEMBL30244709 | 0.71 | CYP3A4 (0.61) | CYP3A4TDP1DRD1TRPA1KDM4E |
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-114957659-B | Polyoxadiazole and preparation method and application thereof | 深圳大学 | 2023-09-22 | — | — | CN | disclosed |