Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | THPO | P40225 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.36 |
| ▸ | GRM5 | P41594 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL208030 | 0.83 | — | — | |
| Alcohol SCHEMBL28009111 | 0.76 | APP (0.48) | APPCYP1A2CYP3A4CYP2C9CYP2C19 | |
| Pyrrole SCHEMBL28829087 | 0.75 | APP (0.42) | APPCYP1A2CYP3A4CYP2C9CYP2C19 | |
| Benzonitrile SCHEMBL27804422 | 0.70 | TSHR (0.70) | APPMAPTNPC1ALDH1A1SMN1; SMN2 | |
| Diphenylacetylene SCHEMBL28768551 | 0.69 | APP (0.92) | APPCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL718611 | 0.69 | APP (0.42) | APPCYP1A2MAPTFFAR1 | |
| Fluorobenzene SCHEMBL28280173 | 0.69 | NFE2L2 (0.39) | ALDH1A1KMT2ASMN1; SMN2RAB9A | |
| SCHEMBL205838 | 0.68 | — | — | |
| Benzene SCHEMBL28136930 | 0.68 | APP (0.65) | APPCYP1A2CYP3A4CYP2C9CYP2C19 | |
| Diphenylether SCHEMBL29176055 | 0.67 | LTA4H (0.63) | FFAR1 |
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-114835739-B | Disubstituted phenylethynyl fluorine boron pyrrole fluorescent dichromatic liquid crystal compound and application thereof | 大连理工大学 | 2023-11-10 | — | — | CN | claimed |
| CN-114835739-B | Disubstituted phenylethynyl fluorine boron pyrrole fluorescent dichromatic liquid crystal compound and application thereof | 大连理工大学 | 2023-11-10 | — | — | CN | disclosed |
| CN-114835739-B | Disubstituted phenylethynyl fluorine boron pyrrole fluorescent dichromatic liquid crystal compound and application thereof | 大连理工大学 | 2023-11-10 | — | — | CN | disclosed |
| CN-114835739-B | Disubstituted phenylethynyl fluorine boron pyrrole fluorescent dichromatic liquid crystal compound and application thereof | 大连理工大学 | 2023-11-10 | — | — | CN | disclosed |