Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | THPO | P40225 | 1/20 | 0.52 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | APP | P05067 | 1/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10768214 | 0.88 | CYP1A2 (0.64) | CYP3A4CYP2C9CYP2C19CYP1A2THPO | |
| SCHEMBL29118813 | 0.87 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19CYP1A2THPO | |
| SCHEMBL21924472 | 0.79 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19CYP1A2THPO | |
| SCHEMBL28117897 | 0.79 | CYP1A2 (0.54) | CYP3A4CYP2C9CYP2C19CYP1A2THPO | |
| SCHEMBL17911731 | 0.78 | CYP1A2 (0.58) | CYP3A4CYP2C9CYP2C19CYP1A2THPO | |
| SCHEMBL10455227 | 0.77 | CYP1A2 (0.52) | CYP3A4CYP2C9CYP2C19CYP1A2THPO | |
| SCHEMBL28454184 | 0.75 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19CYP1A2THPO | |
| SCHEMBL9784179 | 0.74 | CYP1A2 (0.54) | CYP3A4CYP2C9CYP2C19CYP1A2THPO | |
| SCHEMBL5808117 | 0.74 | CYP1A2 (0.54) | CYP3A4CYP2C9CYP2C19CYP1A2THPO | |
| SCHEMBL613220 | 0.74 | CYP1A2 (0.54) | CYP3A4CYP2C9CYP2C19CYP1A2THPO |
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-115724769-B | Method for synthesizing fluorine-containing phenylethynyl phenyl propionitrile liquid crystal compound | 西安瑞联新材料股份有限公司 | 2024-05-03 | — | — | CN | disclosed |