Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 8/20 | 0.37 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.36 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.36 |
| ▸ | PIN1 | Q13526 | 3/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
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 | 0.90 | TSHR (0.41) | SMN1; SMN2TSHRMAPK14SRD5A1PIN1 | |
| SCHEMBL28351995 | 0.86 | SMN1; SMN2 (0.66) | SMN1; SMN2MAPK14DGAT1CA1CA2 | |
| SCHEMBL28260554 | 0.86 | SMN1; SMN2 (0.47) | SMN1; SMN2TSHRDGAT1SRD5A1CA1 | |
| SCHEMBL28355728 | 0.83 | HTR2A (0.43) | SMN1; SMN2TSHRCYP2C19 | |
| SCHEMBL28260480 | 0.81 | SMN1; SMN2 (0.43) | SMN1; SMN2CA1CA2CA7CA9 | |
| SCHEMBL28260511 | 0.80 | SMN1; SMN2 (0.40) | SMN1; SMN2TSHRDGAT1SRD5A1CYP2C19 | |
| SCHEMBL28351697 | 0.79 | SMN1; SMN2 (0.53) | SMN1; SMN2MAPK14CA1CA2CA7 | |
| SCHEMBL28261777 | 0.76 | TSHR (0.42) | SMN1; SMN2TSHRCYP2C9CYP2C19 | |
| SCHEMBL28355808 | 0.76 | SMN1; SMN2 (0.38) | SMN1; SMN2SRD5A1CYP2C9CYP2C19 | |
| SCHEMBL9141377 | 0.76 | SMN1; SMN2 (0.46) | SMN1; SMN2TSHRMAPK14DGAT1PIN1 |
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 |