Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17169180 | 0.98 | CES2 (0.53) | CES2CES1HPGDCYP2C19CYP1A2 | |
| Fluoride SCHEMBL31047204 | 0.92 | SRC (0.55) | CES2CES1HPGDCYP2C19CYP2C9 | |
| SCHEMBL6473557 | 0.84 | SRC (0.60) | CES2CES1HPGDCYP2C19CYP1A2 | |
| SCHEMBL4946779 | 0.82 | HPGD (0.49) | CES2CES1HPGDCYP2C19CYP1A2 | |
| SCHEMBL8519279 | 0.80 | CYP2C19 (0.45) | CES2CES1HPGDCYP2C19CYP1A2 | |
| SCHEMBL28074473 | 0.80 | CYP2C19 (0.58) | CES2CES1HPGDCYP2C19CYP1A2 | |
| SCHEMBL13280266 | 0.78 | CYP3A4 (0.58) | HPGDCYP2C19CYP1A2CYP2C9SRC | |
| Fluoride SCHEMBL31047198 | 0.77 | CES2 (0.52) | CES2CES1HPGDLMNACA12 | |
| Fluoride SCHEMBL31047203 | 0.77 | TSHR (0.64) | CES2CES1SRCLMNABLM | |
| SCHEMBL14055537 | 0.76 | HPGD (0.52) | HPGDCYP2C19CYP1A2CYP2C9SRC |
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 |
|---|---|---|---|---|---|---|---|
| CN-118497779-A | Electrochemical synthesis method of phosphorus-fluorine compound | 齐鲁工业大学(山东省科学院) | 2024-08-16 | — | — | CN | disclosed |