Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | MIF | P14174 | 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 | |
|---|---|---|---|---|
| SCHEMBL127043 | 0.87 | GABRA1 (0.41) | CYP3A4TSHRGABRA1GABRB2TRPA1 | |
| SCHEMBL29364508 | 0.87 | GABRA1 (0.41) | CYP3A4TSHRGABRA1GABRB2TRPA1 | |
| SCHEMBL4909086 | 0.86 | CYP3A4 (0.42) | CYP3A4TSHRGABRA1GABRB2TRPA1 | |
| Water SCHEMBL5172983 | 0.85 | GABRA1 (0.40) | CYP3A4GABRA1GABRB2TRPA1CYP1A2 | |
| Benzene SCHEMBL28107745 | 0.85 | GABRA1 (0.40) | CYP3A4GABRA1GABRB2TRPA1CYP1A2 | |
| SCHEMBL28225610 | 0.85 | GABRA1 (0.40) | CYP3A4GABRA1GABRB2TRPA1CYP1A2 | |
| Toluene Diisocyanate SCHEMBL4245039 | 0.82 | CYP3A4 (0.71) | CYP3A4TSHRGABRA1GABRB2TRPA1 | |
| SCHEMBL9438264 | 0.82 | GABRA1 (0.39) | CYP3A4TSHRGABRA1GABRB2 | |
| SCHEMBL8763269 | 0.81 | GABRA1 (0.38) | CYP3A4TSHRGABRA1GABRB2TRPA1 | |
| SCHEMBL5945281 | 0.81 | GABRA1 (0.38) | CYP3A4GABRA1GABRB2TRPA1MIF |
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-109476938-A | Gravure ink, printed matter and laminated product for laminated body | 东洋油墨SC控股株式会社 | 2019-03-15 | — | — | CN | disclosed |