Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CETP | P11597 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Phenol SCHEMBL11876241 | 0.88 | CETP (0.50) | CYP3A4TSHRCETP | |
| Benzene SCHEMBL5436988 | 0.84 | CYP3A4 (0.85) | CYP3A4TSHR | |
| SCHEMBL7917113 | 0.84 | CYP3A4 (0.59) | CYP3A4TSHRCETP | |
| SCHEMBL4948490 | 0.84 | CYP3A4 (0.59) | CYP3A4TSHRCETP | |
| Toluene SCHEMBL11667825 | 0.84 | CYP3A4 (0.63) | CYP3A4TSHR | |
| Benzoic Acid SCHEMBL11309988 | 0.83 | CYP3A4 (0.57) | CYP3A4TSHR | |
| Phenol SCHEMBL3432636 | 0.83 | LPAR3 (0.65) | CYP3A4TSHRCETP | |
| Benzophenone SCHEMBL9306651 | 0.83 | CYP3A4 (0.57) | CYP3A4 | |
| Hydrogen Peroxide SCHEMBL27283190 | 0.82 | CYP3A4 (0.90) | CYP3A4TSHR | |
| O-Xylene SCHEMBL28093716 | 0.81 | CYP3A4 (0.65) | CYP3A4TSHR |
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-109701297-A | A kind of hypergravity extraction and separation coupling device and application | 北京化工大学 | 2019-05-03 | — | — | CN | disclosed |