Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | GABBR2 | O75899 | 6/20 | 0.38 |
| ▸ | GABBR1 | Q9UBS5 | 6/20 | 0.38 |
| ▸ | LMNA | P02545 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NSD2 | O96028 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | FBP1 | P09467 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27725205 | 1.00 | ALDH1A1 (0.42) | ALDH1A1MAPTHPGDCNR1GABBR2 | |
| SCHEMBL22988782 | 1.00 | ALDH1A1 (0.42) | ALDH1A1MAPTHPGDCNR1GABBR2 | |
| SCHEMBL15389394 | 0.86 | ALDH1A1 (0.48) | ALDH1A1MAPTHPGDCNR1GABBR2 | |
| SCHEMBL21198531 | 0.83 | SERPINH1 (0.44) | ALDH1A1MAPTCNR1GABBR2GABBR1 | |
| SCHEMBL21197684 | 0.83 | SERPINH1 (0.44) | ALDH1A1MAPTCNR1GABBR2GABBR1 | |
| SCHEMBL27725253 | 0.83 | ALDH1A1 (0.56) | ALDH1A1MAPTLMNAKDM4EFBP1 | |
| SCHEMBL21197683 | 0.83 | SERPINH1 (0.44) | ALDH1A1MAPTCNR1GABBR2GABBR1 | |
| SCHEMBL27725252 | 0.83 | ALDH1A1 (0.56) | ALDH1A1MAPTLMNAKDM4EFBP1 | |
| SCHEMBL21686410 | 0.83 | NPC1 (0.46) | ALDH1A1MAPTCNR1KDM4EGAA | |
| SCHEMBL27725189 | 0.83 | NPC1 (0.46) | ALDH1A1MAPTCNR1KDM4EGAA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111936488-B | Novel compounds for the treatment of parasitic infections | 葛兰素史克知识产权开发有限公司 | 2023-06-27 | — | — | CN | disclosed |
| EP-3599246-A1 | MEANS AND METHODS FOR SYNTHESIZING PRECURSORS OF Y-AMINOBUTYRIC ACID (GABA) ANALOGS | RIJKSUNIVERSITEIT GRONINGEN (NL) | 2020-01-29 | — | — | EP | disclosed |
| WO-2019145360-A1 | NOVEL COMPOUNDS FOR THE TREATMENT OF PARASITIC INFECTIONS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2019-08-01 | — | — | WO | disclosed |
| CN-101333168-B | Novel method for synthesizing chiral beta-aryl-gamma-aminobutyric acid compounds | EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) | 2012-02-01 | — | — | CN | disclosed |
| CN-101333168-A | Novel method for synthesizing chiral beta-aryl-gamma-aminobutyric acid compounds | UNIV EAST CHINA SCIENCE & TECH (CN) | 2008-12-31 | — | — | CN | disclosed |