Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | HTR1D | P28221 | 1/20 | 0.35 |
| ▸ | PRKCE | Q02156 | 3/20 | 0.34 |
| ▸ | MYLK | Q15746 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | PRKCG | P05129 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | PRKCA | P17252 | 1/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12353847 | 0.81 | GABRA1 (0.39) | GABRA1GABRB2CYP2C19HTR1DPRKCE | |
| SCHEMBL913881 | 0.79 | GABRA1 (0.38) | GABRA1GABRB2CYP2C19HTR1DPRKCE | |
| SCHEMBL5527151 | 0.79 | GABRA1 (0.38) | GABRA1GABRB2CYP2C19HTR1DPRKCE | |
| SCHEMBL2114143 | 0.79 | CYP2C19 (0.55) | GABRA1GABRB2CYP2C19HTR1DPRKCE | |
| SCHEMBL914375 | 0.79 | CYP2C19 (0.40) | GABRA1GABRB2CYP2C19HTR1DPRKCE | |
| SCHEMBL11365064 | 0.79 | GABRA1 (0.38) | GABRA1GABRB2CYP2C19HTR1DPRKCE | |
| SCHEMBL12705769 | 0.79 | GABRA1 (0.34) | GABRA1GABRB2CYP2C19PRKCEMYLK | |
| Fluoride SCHEMBL915028 | 0.78 | GABRA1 (0.37) | GABRA1GABRB2CYP2C19HTR1DPRKCE | |
| SCHEMBL16592864 | 0.76 | GABRA1 (0.35) | GABRA1GABRB2CYP2C19PRKCEMYLK | |
| SCHEMBL28493710 | 0.76 | CYP2C19 (0.41) | GABRA1GABRB2CYP2C19HTR1DCYP2D6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2046735-B1 | SUBSTITUTED PHENYLSULFUR TRIFLUORIDES AS FLUORINATING AGENTS | UBE INDUSTRIES (JP) | 2015-05-06 | — | — | EP | disclosed |