Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.35 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.35 |
| ▸ | ESRRG | P62508 | 3/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.34 |
| ▸ | MLNR | O43193 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 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 | |
|---|---|---|---|---|
| Trifluoromethanesulfonic Acid SCHEMBL28186590 | 0.88 | S1PR1 (0.43) | CYP1A2CHRM3ALDH1A1S1PR1S1PR3 | |
| Trifluoromethanesulfonic Acid SCHEMBL30330661 | 0.85 | CYP1A2 (0.44) | CYP1A2CHRM3ALDH1A1S1PR1S1PR3 | |
| Trifluoromethanesulfonic Acid SCHEMBL25272438 | 0.84 | CYP1A2 (0.47) | CYP1A2S1PR1S1PR3S1PR5ADRA2A | |
| SCHEMBL2980496 | 0.84 | CYP1A2 (0.50) | CYP1A2ALDH1A1S1PR1S1PR3S1PR5 | |
| Trifluoroacetic Acid SCHEMBL28185812 | 0.84 | CHRNB2 (0.41) | CYP1A2CHRM3ESRRGESR1 | |
| SCHEMBL28185799 | 0.81 | CYP1A2 (0.44) | CYP1A2CHRM3ALDH1A1ESRRGESR1 | |
| Trifluoromethanesulfonic Acid SCHEMBL25276974 | 0.81 | CYP1A2 (0.50) | CYP1A2S1PR1S1PR3S1PR5ADRA2A | |
| SCHEMBL12535509 | 0.79 | CYP1A2 (0.58) | CYP1A2ALDH1A1S1PR1S1PR3S1PR5 | |
| SCHEMBL28609198 | 0.75 | S1PR1 (0.47) | CYP1A2CHRM3ALDH1A1S1PR1S1PR3 | |
| Trifluoromethanesulfonic Acid SCHEMBL30330848 | 0.74 | S1PR1 (0.50) | ALDH1A1S1PR1S1PR3S1PR5DRD2 |
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-107427758-A | Utilize the separation of ion liquid solvent | 切弗朗菲利浦化学公司 | 2017-12-01 | — | — | CN | claimed |
| CN-107427758-A | Utilize the separation of ion liquid solvent | 切弗朗菲利浦化学公司 | 2017-12-01 | — | — | CN | disclosed |