Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 6/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 6/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 6/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 6/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 6/20 | 0.42 |
| ▸ | HTR1A | P08908 | 2/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17151091 | 0.78 | TSHR (0.48) | CYP2C9CYP2C19CYP1A2ALDH1A1TSHR | |
| SCHEMBL560935 | 0.78 | SMN1; SMN2 (0.61) | SMN1; SMN2CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL1670181 | 0.76 | SMN1; SMN2 (0.48) | SMN1; SMN2CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL8317714 | 0.75 | CYP2C19 (0.46) | SMN1; SMN2CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL27658912 | 0.75 | CYP2C19 (0.41) | SMN1; SMN2CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL13734806 | 0.74 | SMN1; SMN2 (0.47) | SMN1; SMN2CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL246639 | 0.74 | SMN1; SMN2 (0.52) | SMN1; SMN2CYP2C9CYP2C19CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL29012323 | 0.74 | SMN1; SMN2 (0.52) | SMN1; SMN2CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL4431781 | 0.74 | SIGMAR1 (0.66) | SMN1; SMN2CYP2D6CHRM2CHRM4CHRM5 | |
| SCHEMBL9852930 | 0.74 | SMN1; SMN2 (0.47) | SMN1; SMN2CYP2C9CYP2C19CYP1A2CYP2D6 |
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-103649263-B | Direct trifluoromethylation using trifluoromethane | 南加州大学 | 2016-06-29 | — | — | CN | claimed |
| CN-103649263-B | Direct trifluoromethylation using trifluoromethane | 南加州大学 | 2016-06-29 | — | — | CN | disclosed |