Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | MGAM | O43451 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SI | P14410 | 1/20 | 0.35 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.30 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| Acetone SCHEMBL9562373 | 0.84 | — | — | |
| Acetic Acid SCHEMBL2479593 | 0.81 | — | — | |
| Methoxymethane SCHEMBL10787753 | 0.81 | ESR1 (0.39) | NR1H2CYP3A4ESR1CYP2C9ESR2 | |
| SCHEMBL28529026 | 0.79 | BRD4 (0.44) | ALDH1A1NR1H2MGAMGAASI | |
| SCHEMBL351398 | 0.79 | TP53 (0.44) | ALDH1A1GAA | |
| SCHEMBL22856596 | 0.79 | LMNA (0.37) | ALDH1A1NR1H2LMNAHSD17B10 | |
| SCHEMBL7186641 | 0.79 | LMNA (0.37) | ALDH1A1NR1H2LMNAHSD17B10 | |
| SCHEMBL351399 | 0.79 | TP53 (0.44) | ALDH1A1GAA | |
| SCHEMBL408809 | 0.79 | TP53 (0.44) | ALDH1A1GAA | |
| Acetic Acid Methyl Ester SCHEMBL594991 | 0.78 | ALDH1A1 (0.48) | ALDH1A1MGAMGAASIMGAM2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115819300-B | Preparation method of 2- (1- (mercaptomethyl) cyclopropyl) acetic acid | 江苏阿尔法集团盛基药业(宿迁)有限公司 | 2024-10-25 | — | — | CN | disclosed |
| CN-115819300-A | Preparation method of 2 (1- (mercapto) cyclopropyl) acetic acid | 宿迁盛基医药科技有限公司 | 2023-03-21 | — | — | CN | disclosed |
| CN-1209809-A | Noval chemical compound | FUJISAWA PHARMACEUTICAL CO (JP) | 1999-03-03 | — | — | CN | disclosed |