Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 2/20 | 0.47 |
| ▸ | NOS1 | P29475 | 2/20 | 0.47 |
| ▸ | NOS2 | P35228 | 2/20 | 0.47 |
| ▸ | LIG1 | P18858 | 1/20 | 0.47 |
| ▸ | ALPI | P09923 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | XIAP | P98170 | 1/20 | 0.46 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MPO | P05164 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | SLC1A5 | Q15758 | 8/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28741553 | 0.86 | SLC1A5 (0.50) | LIG1KDM4ESLC1A5ALDH1A1 | |
| SCHEMBL13957565 | 0.81 | NOS3 (0.52) | NOS3NOS1NOS2ALPIPKM | |
| SCHEMBL22444772 | 0.80 | LIG1 (0.47) | LIG1KDM4EMEN1LMNAMAPT | |
| SCHEMBL31734855 | 0.79 | HPGD (0.53) | NOS3NOS1NOS2ALPIPKM | |
| SCHEMBL27332772 | 0.79 | ALDH1A1 (0.45) | LIG1KDM4EMEN1LMNAMAPT | |
| SCHEMBL25380983 | 0.77 | LIG1 (0.53) | LIG1KDM4EMEN1MAPTTSHR | |
| SCHEMBL155235 | 0.77 | NOS3 (0.55) | NOS3NOS1NOS2ALPIPKM | |
| SCHEMBL31414031 | 0.77 | LIG1 (0.53) | LIG1KDM4EMEN1MAPTTSHR | |
| SCHEMBL4595466 | 0.77 | NOS3 (0.55) | NOS3NOS1NOS2ALPIPKM | |
| SCHEMBL155234 | 0.77 | NOS3 (0.55) | NOS3NOS1NOS2ALPIPKM |
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-113692401-A | Process for producing aromatic amino acid derivative | 中外制药株式会社 | 2021-11-23 | — | — | CN | disclosed |
| WO-2020189540-A1 | METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE | 中外製薬株式会社 | 2020-09-24 | — | — | WO | disclosed |