Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN11 | Q06124 | 1/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.36 |
| ▸ | EGFR | P00533 | 4/20 | 0.33 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.33 |
| ▸ | IKBKB | O14920 | 2/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.31 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.31 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.31 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.31 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.31 |
| ▸ | SYK | P43405 | 1/20 | 0.31 |
| ▸ | GFER | P55789 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
| ▸ | GAK | O14976 | 1/20 | 0.30 |
| ▸ | FBP1 | P09467 | 1/20 | 0.30 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2884609 | 0.79 | TSHR (0.41) | PTPN11CYP1A1CYP1A2CYP1B1EGFR | |
| SCHEMBL2876029 | 0.75 | CYP1A1 (0.48) | CYP1A1CYP1A2CYP1B1GRM5HAO1 | |
| SCHEMBL10191916 | 0.73 | KCNA5 (0.44) | PTPN11CYP1A1CYP1A2CYP1B1EGFR | |
| SCHEMBL10191908 | 0.73 | ALDH1A1 (0.45) | PTPN11CYP1A1CYP1A2CYP1B1EGFR | |
| SCHEMBL10191902 | 0.71 | ALDH1A1 (0.59) | PTPN11CYP1A2EGFRIKBKBGRM5 | |
| SCHEMBL22658427 | 0.71 | PTPN11 (0.57) | PTPN11IKBKBGRM5PDK1PDK2 | |
| SCHEMBL10191897 | 0.71 | IKBKB (0.52) | CYP1A2IKBKBALDH1A1MAPT | |
| SCHEMBL14515380 | 0.70 | L3MBTL1 (0.60) | PTPN11CYP1A2IKBKBPDK1PDK2 | |
| SCHEMBL935880 | 0.70 | CA12 (0.50) | CYP1A1CYP1A2CYP1B1IKBKBGRM5 | |
| SCHEMBL23549950 | 0.69 | CYP1A1 (0.38) | CYP1A1CYP1A2CYP1B1TAS2R14GRM5 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019101132-A1 | FLUOROSULFONYL-CONTAINING COMPOUND, INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF | 中国科学院上海有机化学研究所 | 2019-05-31 | — | — | WO | disclosed |