Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | F7 | P08709 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | F3 | P13726 | 1/20 | 0.37 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.37 |
| ▸ | SPR | P35270 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | DGAT1 | O75907 | 3/20 | 0.34 |
| ▸ | SRD5A1 | P18405 | 3/20 | 0.33 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL28261809 | 0.88 | TSHR (0.41) | SMN1; SMN2PARP1PARP10TSHRSRD5A1 | |
| SCHEMBL28351697 | 0.86 | SMN1; SMN2 (0.53) | SMN1; SMN2ALDH1A1 | |
| SCHEMBL28355728 | 0.83 | HTR2A (0.43) | SMN1; SMN2TSHRALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL28355808 | 0.81 | SMN1; SMN2 (0.38) | SMN1; SMN2ALDH1A1SRD5A1SRD5A2CYP1A2 | |
| SCHEMBL28260480 | 0.81 | SMN1; SMN2 (0.43) | SMN1; SMN2ALDH1A1CYP3A4GAA | |
| SCHEMBL28260461 | 0.80 | SMN1; SMN2 (0.48) | SMN1; SMN2TSHRDGAT1SRD5A1CYP2C19 | |
| SCHEMBL28260554 | 0.79 | SMN1; SMN2 (0.47) | SMN1; SMN2PARP10TSHRALDH1A1DGAT1 | |
| SCHEMBL28351995 | 0.79 | SMN1; SMN2 (0.66) | SMN1; SMN2ALDH1A1DGAT1GAA | |
| SCHEMBL28261777 | 0.76 | TSHR (0.42) | SMN1; SMN2TSHRALDH1A1CYP3A4GAA | |
| SCHEMBL28352016 | 0.74 | KDM4E (0.40) | SMN1; SMN2PARP1PARP10TSHRALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108997183-B | Difluoromethylation reagent and preparation method and application thereof | 深圳大学 | 2020-02-07 | — | — | CN | claimed |
| CN-108997183-A | A kind of difluoromethyl reagent and the preparation method and application thereof | 深圳大学 | 2018-12-14 | — | — | CN | disclosed |