Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Valine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | SLC7A11 | Q9UPY5 | 1/20 | 0.42 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.40 |
| ▸ | CPN1 | P15169 | 2/20 | 0.34 |
| ▸ | CPB2 | Q96IY4 | 2/20 | 0.34 |
| ▸ | PRCP | P42785 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 2/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.31 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.31 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Valine SCHEMBL7646500 | 1.00 | PTGS1 (0.42) | PTGS1SLC7A11SLC7A5CPN1CPB2 | |
| Valine SCHEMBL28182157 | 1.00 | PTGS1 (0.42) | PTGS1SLC7A11SLC7A5CPN1CPB2 | |
| Valine SCHEMBL27660752 | 1.00 | PTGS1 (0.42) | PTGS1SLC7A11SLC7A5CPN1CPB2 | |
| Valine SCHEMBL3055733 | 0.97 | PTGS1 (0.40) | PTGS1SLC7A11SLC7A5CPN1CPB2 | |
| Valine SCHEMBL3054588 | 0.96 | PTGS1 (0.39) | PTGS1SLC7A11SLC7A5CPN1CPB2 | |
| Asparagine SCHEMBL5664265 | 0.93 | PTGS1 (0.36) | PTGS1SLC7A11SLC7A5CPN1CPB2 | |
| Valine SCHEMBL5666087 | 0.93 | PTGS1 (0.36) | PTGS1SLC7A11SLC7A5CPN1CPB2 | |
| Valine SCHEMBL28189265 | 0.93 | PTGS1 (0.36) | PTGS1SLC7A11SLC7A5CPN1CPB2 | |
| Valine SCHEMBL6368984 | 0.92 | PTGS1 (0.36) | PTGS1SLC7A11SLC7A5 | |
| Asparagine SCHEMBL7138389 | 0.92 | PTGS1 (0.36) | PTGS1SLC7A11SLC7A5CPN1CPB2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107226841-A | The ultrashort peptide of antioxidizing and its application | 择天生物科技（大连）有限公司 | 2017-10-03 | — | — | CN | disclosed |