Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | KDM1A | O60341 | 5/20 | 0.34 |
| ▸ | RCOR1 | Q9UKL0 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.31 |
| ▸ | MAOB | P27338 | 2/20 | 0.31 |
| ▸ | KDM1B | Q8NB78 | 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 | |
|---|---|---|---|---|
| SCHEMBL8746390 | 0.95 | CYP3A4 (0.39) | CYP3A4CYP2D6CYP2C19TSHRALDH1A1 | |
| SCHEMBL4863846 | 0.94 | ALDH1A1 (0.41) | CYP3A4CYP2D6CYP2C19TSHRALDH1A1 | |
| SCHEMBL8746409 | 0.94 | ALDH1A1 (0.41) | CYP3A4CYP2D6CYP2C19TSHRALDH1A1 | |
| SCHEMBL8746417 | 0.94 | ALDH1A1 (0.41) | CYP3A4CYP2D6CYP2C19TSHRALDH1A1 | |
| SCHEMBL8916690 | 0.94 | ALDH1A1 (0.41) | CYP3A4CYP2D6CYP2C19TSHRALDH1A1 | |
| SCHEMBL17355533 | 0.92 | CYP3A4 (0.37) | CYP3A4CYP2D6CYP2C19TSHRALDH1A1 | |
| SCHEMBL10800140 | 0.84 | GRM2 (0.39) | CYP3A4CYP2C19TSHRALDH1A1CYP2C9 | |
| SCHEMBL8997203 | 0.84 | GRM2 (0.38) | KDM1ARCOR1CYP1A2SLC6A2SLC6A4 | |
| SCHEMBL8997302 | 0.84 | MAPK1 (0.41) | KDM1ARCOR1CYP1A2SLC6A3 | |
| SCHEMBL14224776 | 0.83 | MEN1 (0.43) | CYP2C19TSHR |
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 | disclosed |
| CN-114835739-A | Disubstituted phenylethynyl BODIPY fluorescent dichroic liquid crystal compound and application thereof | 大连理工大学 | 2022-08-02 | — | — | CN | disclosed |
| US-20120241326-A1 | METHOD OF PREPARING CONJUGATED POLYMER | FUJIFILM CORPORATION (JP) | 2012-09-27 | — | — | US | disclosed |
| US-20120241326-A1 | METHOD OF PREPARING CONJUGATED POLYMER | FUJIFILM CORPORATION (JP) | 2012-09-27 | — | — | US | disclosed |