Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CETP | P11597 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 3/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27897338 | 1.00 | CETP (0.48) | CETPTSHRALDH1A1CYP3A4MAPK1 | |
| SCHEMBL11364537 | 1.00 | CETP (0.48) | CETPTSHRALDH1A1CYP3A4MAPK1 | |
| SCHEMBL11519078 | 0.93 | TSHR (0.49) | CETPTSHRALDH1A1CYP3A4MAPK1 | |
| Phenol SCHEMBL28773564 | 0.87 | NR5A1 (0.51) | CETPTSHRALDH1A1CYP3A4MAPK1 | |
| Biphenyl SCHEMBL8775063 | 0.85 | TSHR (0.45) | TSHRALDH1A1CYP3A4MAPK1LMNA | |
| Biphenyl SCHEMBL10591386 | 0.85 | TSHR (0.45) | TSHRALDH1A1CYP3A4MAPK1LMNA | |
| Benzene SCHEMBL28526211 | 0.84 | GBA1 (0.42) | TSHRALDH1A1LMNANR5A1MEN1 | |
| SCHEMBL11305016 | 0.83 | CETP (0.46) | CETPTSHRALDH1A1CYP3A4MAPK1 | |
| SCHEMBL11529935 | 0.83 | CETP (0.46) | CETPTSHRALDH1A1CYP3A4MAPK1 | |
| SCHEMBL9861937 | 0.83 | CETP (0.46) | CETPTSHRALDH1A1CYP3A4MAPK1 |
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-108350004-B | Preparation method of phosphorus-containing cyanohydrin ester | 拜耳作物科学股份公司 | 2021-03-12 | — | — | CN | disclosed |