Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.35 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11132389 | 0.87 | KCNH2 (0.48) | CYP3A4ALDH1A1LMNACA2HTR2A | |
| SCHEMBL28075538 | 0.84 | CYP3A4 (0.52) | ABCG2CYP3A4TSHRMAPTALOX5 | |
| SCHEMBL24869299 | 0.83 | TSHR (0.53) | CYP3A4TSHRMAPTALOX5ALDH1A1 | |
| SCHEMBL21412681 | 0.81 | MAPT (0.50) | ABCG2CYP3A4TSHRMAPTALDH1A1 | |
| SCHEMBL28671318 | 0.79 | CYP19A1 (0.43) | ABCG2CYP3A4TSHRMAPTALOX5 | |
| SCHEMBL5066151 | 0.79 | TSHR (0.55) | CYP3A4TSHRMAPTALDH1A1LMNA | |
| SCHEMBL11494839 | 0.79 | MAPT (0.56) | ABCG2CYP3A4TSHRMAPTALDH1A1 | |
| SCHEMBL11967591 | 0.79 | ATM (0.55) | ABCG2CYP3A4TSHRMAPTALOX5 | |
| SCHEMBL12107909 | 0.79 | PDK1 (0.43) | ABCG2CYP3A4ALOX5CNR1CNR2 | |
| SCHEMBL12708376 | 0.77 | ALDH1A1 (0.53) | CYP3A4TSHRMAPTALDH1A1LMNA |
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-114790158-A | Fluoroalkyl reagent of sulfur ylide framework and preparation method and application thereof | 中国科学院上海有机化学研究所 | 2022-07-26 | — | — | CN | disclosed |