Known targets — ChEMBL curated mechanism
PPARDPTGS1PTGS2dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Lysine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSR | P00390 | 1/20 | 0.74 |
| ▸ | ARG2 | P78540 | 4/20 | 0.47 |
| ▸ | ARG1 | P05089 | 3/20 | 0.47 |
| ▸ | NOS2 | P35228 | 5/20 | 0.46 |
| ▸ | NOS1 | P29475 | 4/20 | 0.46 |
| ▸ | NOS3 | P29474 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Lysine SCHEMBL16194375 | 0.90 | GSR (0.83) | GSRARG2ARG1NOS2NOS1 | |
| Lysine SCHEMBL4667086 | 0.90 | GSR (0.83) | GSRARG2ARG1NOS2NOS1 | |
| Lysine SCHEMBL5437281 | 0.90 | GSR (0.83) | GSRARG2ARG1NOS2NOS1 | |
| Lysine SCHEMBL4667085 | 0.90 | GSR (0.83) | GSRARG2ARG1NOS2NOS1 | |
| Lysine SCHEMBL30585523 | 0.89 | GSR (0.80) | GSRARG2ARG1NOS2NOS1 | |
| Lysine SCHEMBL30531666 | 0.89 | GSR (0.80) | GSRARG2ARG1NOS2NOS1 | |
| Lysine SCHEMBL7706094 | 0.89 | GSR (0.80) | GSRARG2ARG1NOS2NOS1 | |
| Lysine SCHEMBL7706799 | 0.89 | GSR (0.80) | GSRARG2ARG1NOS2NOS1 | |
| Lysine SCHEMBL4531100 | 0.88 | GSR (0.95) | GSRARG2ARG1NOS2NOS1 | |
| Lysine SCHEMBL6569166 | 0.88 | GSR (0.95) | GSRARG2ARG1NOS2NOS1 |
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-114938659-A | Cardiovascular disease onset risk assessment marker based on metabonomics data and application | 中国医学科学院阜外医院 | 2022-08-23 | — | — | CN | claimed |
| CN-114938659-A | Cardiovascular disease onset risk assessment marker based on metabonomics data and application | 中国医学科学院阜外医院 | 2022-08-23 | — | — | CN | disclosed |