Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 4/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.53 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.53 |
| ▸ | TBXA2R | P21731 | 3/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.53 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.53 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.53 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL8518663 | 0.87 | ABCB11 (0.61) | CYP2C9KDM4EALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL820500 | 0.85 | CYP2C9 (0.74) | CYP2C9KDM4EALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL29808878 | 0.85 | CYP2C9 (0.74) | CYP2C9KDM4EALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL29676455 | 0.85 | ALDH1A1 (0.59) | CYP2C9KDM4EALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL3028387 | 0.85 | ALDH1A1 (0.59) | CYP2C9KDM4EALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL28441003 | 0.82 | CACNA1F (0.53) | CYP2C9KDM4EALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL28438034 | 0.81 | ALDH1A1 (0.55) | CYP2C9KDM4EALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL3016247 | 0.81 | MAPK1 (0.70) | CYP2C9KDM4EALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL5855031 | 0.81 | CACNA1B (0.63) | CACNA1CCACNA1FCACNA1DCACNA1SABCC1 | |
| SCHEMBL11105563 | 0.79 | NR1I2 (0.56) | CYP2C9KDM4EALDH1A1HSD17B10CYP3A4 |
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-111423362-A | Preparation method of two high-purity clevidipine butyrate impurities | 山东省药学科学院 | 2020-07-17 | — | — | CN | disclosed |