Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4298726 | 0.93 | CYP3A4 (0.47) | CYP3A4TRPA1ALDH1A1HPGDTDP1 | |
| SCHEMBL3685073 | 0.93 | CYP3A4 (0.47) | CYP3A4TRPA1ALDH1A1HPGDTDP1 | |
| SCHEMBL7592953 | 0.85 | CYP3A4 (0.47) | CYP3A4TRPA1ALDH1A1HPGDTDP1 | |
| SCHEMBL5576975 | 0.83 | CYP3A4 (0.47) | CYP3A4TRPA1ALDH1A1HPGDTDP1 | |
| SCHEMBL2341640 | 0.81 | CYP3A4 (0.47) | CYP3A4TRPA1ALDH1A1HPGDTDP1 | |
| SCHEMBL1712846 | 0.81 | CYP3A4 (0.47) | CYP3A4TRPA1ALDH1A1HPGDTDP1 | |
| SCHEMBL3677882 | 0.81 | CYP3A4 (0.47) | CYP3A4TRPA1ALDH1A1HPGDTDP1 | |
| SCHEMBL1869910 | 0.81 | CYP3A4 (0.40) | CYP3A4TRPA1GABRA1GABRB2 | |
| SCHEMBL441816 | 0.80 | CYP3A4 (0.43) | CYP3A4TRPA1ALDH1A1HPGDTDP1 | |
| SCHEMBL5576972 | 0.79 | CYP3A4 (0.48) | CYP3A4TRPA1ALDH1A1HPGDTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20210071032-A1 | ACTINIC RADIATION-CURABLE URETHANE/UREA-CONTAINING AEROSPACE COATINGS AND SEALANTS | PRC-DESOTO INTERNATIONAL, INC. | 2021-03-11 | — | — | US | disclosed |