Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIG1 | P18858 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MME | P08473 | 2/20 | 0.44 |
| ▸ | ACE | P12821 | 2/20 | 0.44 |
| ▸ | CPA1 | P15085 | 2/20 | 0.44 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.42 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22444688 | 0.80 | ALDH1A1 (0.56) | ALDH1A1MMEACECPA1ACE2 | |
| SCHEMBL29855236 | 0.80 | ALDH1A1 (0.56) | ALDH1A1MMEACECPA1ACE2 | |
| SCHEMBL16203411 | 0.80 | ALDH1A1 (0.56) | ALDH1A1MMEACECPA1ACE2 | |
| SCHEMBL22444890 | 0.80 | NOS3 (0.47) | LIG1ALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL29855090 | 0.76 | PPARG (0.50) | ALDH1A1MMEACECPA1ACE2 | |
| SCHEMBL28824807 | 0.75 | ALDH1A1 (0.52) | LIG1ALDH1A1ADRB2ADRB1SLC22A1 | |
| SCHEMBL15149759 | 0.75 | TSHR (0.45) | LMNASMN1; SMN2KDM4ENPC1RAB9A | |
| SCHEMBL22444639 | 0.74 | KDM4E (0.52) | ALDH1A1MMEACECPA1ACE2 | |
| SCHEMBL31414031 | 0.74 | LIG1 (0.53) | LIG1ALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL292808 | 0.74 | LIG1 (0.53) | LIG1ALDH1A1MEN1KMT2AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020189540-A1 | METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE | 中外製薬株式会社 | 2020-09-24 | — | — | WO | disclosed |