Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.55 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL9051530 | 0.78 | CYP3A4 (0.48) | CYP3A4GABRA1GABRB2TRPA1ALDH1A1 | |
| SCHEMBL9585916 | 0.78 | CYP3A4 (0.48) | CYP3A4GABRA1GABRB2TRPA1ALDH1A1 | |
| SCHEMBL4935799 | 0.77 | CYP3A4 (0.47) | CYP3A4GABRA1GABRB2TRPA1ALDH1A1 | |
| SCHEMBL1836129 | 0.74 | CYP3A4 (0.48) | CYP3A4TRPA1ALDH1A1HPGDTDP1 | |
| SCHEMBL28929064 | 0.74 | CYP3A4 (0.48) | CYP3A4GABRA1GABRB2TDP1THRB | |
| SCHEMBL9188597 | 0.74 | CYP3A4 (0.44) | CYP3A4GABRA1GABRB2TRPA1 | |
| SCHEMBL17220491 | 0.72 | CYP3A4 (0.55) | CYP3A4GABRA1GABRB2TRPA1ALDH1A1 | |
| SCHEMBL15092 | 0.72 | CYP3A4 (1.00) | CYP3A4GABRA1GABRB2TRPA1ALDH1A1 | |
| SCHEMBL29085969 | 0.72 | CYP3A4 (0.60) | CYP3A4GABRA1GABRB2TRPA1ALDH1A1 | |
| SCHEMBL15431 | 0.70 | CYP3A4 (0.64) | CYP3A4GABRA1GABRB2TRPA1ALDH1A1 |
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-109694460-B | Polyfunctional unsaturated isocyanate trimers, their preparation and their use in dispersion stabilizers | 万华化学集团股份有限公司 | 2021-04-20 | — | — | CN | claimed |