Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | APP | P05067 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL29201485 | 0.98 | MAPT (0.45) | MAPTAPPTSHRATMCYP2D6 | |
| SCHEMBL7030622 | 0.80 | MAPK1 (0.46) | MAPTTSHRATMCYP2D6DRD2 | |
| SCHEMBL31257844 | 0.74 | APP (0.50) | MAPTAPPNPC1MTORRAB9A | |
| SCHEMBL523695 | 0.73 | MAPT (0.51) | MAPTAPPMAPK1NPC1MTOR | |
| SCHEMBL562815 | 0.73 | APP (0.55) | MAPTAPPCYP2D6NPC1MTOR | |
| SCHEMBL2183993 | 0.73 | APP (0.55) | MAPTAPPTSHRCYP2D6NPC1 | |
| SCHEMBL9165032 | 0.72 | CYP2C19 (0.42) | MAPTATMCYP2D6DRD2DRD4 | |
| SCHEMBL9165026 | 0.72 | CYP2C19 (0.42) | MAPTATMCYP2D6DRD2DRD4 | |
| SCHEMBL28592261 | 0.71 | MAPT (0.49) | MAPTAPPCYP3A4ALDH1A1ALOX15 | |
| SCHEMBL28604749 | 0.71 | TSHR (0.43) | MAPTTSHRCYP3A4ALDH1A1 |
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 4 patents. 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 | claimed |
| 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 |
| 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 |
| 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 |