Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | BCL2 | P10415 | 1/20 | 0.33 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | FEN1 | P39748 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7757579 | 0.90 | CYP3A4 (0.41) | CYP3A4GABRA1GABRB2TSHRBCL2 | |
| SCHEMBL510928 | 0.89 | CYP3A4 (0.44) | CYP3A4GABRA1GABRB2TSHRBCL2 | |
| SCHEMBL28037071 | 0.89 | CYP3A4 (0.47) | CYP3A4GABRA1GABRB2TSHRTRPA1 | |
| SCHEMBL28576503 | 0.87 | CYP3A4 (0.50) | CYP3A4GABRA1GABRB2TSHRBCL2 | |
| SCHEMBL2906319 | 0.85 | CYP3A4 (0.40) | CYP3A4GABRA1GABRB2TSHRTRPA1 | |
| SCHEMBL18701450 | 0.85 | CYP3A4 (0.50) | CYP3A4GABRA1GABRB2TSHRTRPA1 | |
| SCHEMBL29404189 | 0.85 | CYP3A4 (0.50) | CYP3A4GABRA1GABRB2TSHRTRPA1 | |
| SCHEMBL15544 | 0.85 | CYP3A4 (0.50) | CYP3A4GABRA1GABRB2TSHRTRPA1 | |
| Methane SCHEMBL17504404 | 0.83 | CYP3A4 (0.39) | CYP3A4GABRA1GABRB2TSHRBCL2 | |
| SCHEMBL11211323 | 0.83 | CYP3A4 (0.43) | CYP3A4GABRA1GABRB2TSHRTRPA1 |
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-108137779-B | Biuret polyisocyanate compositions | 温科莱斯法国公司 | 2021-04-20 | — | — | CN | disclosed |