Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | FBP1 | P09467 | 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 | |
|---|---|---|---|---|
| SCHEMBL27725253 | 1.00 | ALDH1A1 (0.56) | ALDH1A1MAPTTSHRCYP1A2CYP3A4 | |
| SCHEMBL15389362 | 0.86 | ALDH1A1 (0.67) | ALDH1A1MAPTTSHRCYP1A2CYP3A4 | |
| SCHEMBL21198531 | 0.83 | SERPINH1 (0.44) | ALDH1A1MAPTL3MBTL1KDM4EMEN1 | |
| SCHEMBL21197684 | 0.83 | SERPINH1 (0.44) | ALDH1A1MAPTL3MBTL1KDM4EMEN1 | |
| SCHEMBL21197683 | 0.83 | SERPINH1 (0.44) | ALDH1A1MAPTL3MBTL1KDM4EMEN1 | |
| SCHEMBL21216019 | 0.83 | ALDH1A1 (0.42) | ALDH1A1MAPTTSHRCYP1A2CYP3A4 | |
| SCHEMBL27725205 | 0.83 | ALDH1A1 (0.42) | ALDH1A1MAPTTSHRCYP1A2CYP3A4 | |
| SCHEMBL22988782 | 0.83 | ALDH1A1 (0.42) | ALDH1A1MAPTTSHRCYP1A2CYP3A4 | |
| SCHEMBL27725189 | 0.83 | NPC1 (0.46) | ALDH1A1MAPTCYP3A4MAPK1TDP1 | |
| SCHEMBL21686410 | 0.83 | NPC1 (0.46) | ALDH1A1MAPTCYP3A4MAPK1TDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |