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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.48 |
| ▸ | NOS2 | P35228 | 2/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 3/20 | 0.36 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.36 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.36 |
| ▸ | PRCP | P42785 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.33 |
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 SCHEMBL2543573 | 0.98 | SLC7A5 (0.50) | SLC7A5NOS2NOS3NOS1MEN1 | |
| Valine SCHEMBL137917 | 0.98 | SLC7A5 (0.50) | SLC7A5NOS2NOS3NOS1MEN1 | |
| Valine SCHEMBL137916 | 0.98 | SLC7A5 (0.50) | SLC7A5NOS2NOS3NOS1MEN1 | |
| Valine SCHEMBL2543574 | 0.98 | SLC7A5 (0.50) | SLC7A5NOS2NOS3NOS1MEN1 | |
| Valine SCHEMBL2256563 | 0.98 | SLC7A5 (0.50) | SLC7A5NOS2NOS3NOS1MEN1 | |
| Valine SCHEMBL8740685 | 0.95 | SLC7A5 (0.47) | SLC7A5NOS2NOS3NOS1MEN1 | |
| Valine SCHEMBL2113294 | 0.95 | SLC7A5 (0.47) | SLC7A5NOS2NOS3NOS1MEN1 | |
| Valine SCHEMBL28486680 | 0.95 | SLC7A5 (0.47) | SLC7A5NOS2NOS3NOS1MEN1 | |
| Valine SCHEMBL4613217 | 0.91 | SLC7A5 (0.43) | SLC7A5NOS2NOS3NOS1MEN1 | |
| Valine SCHEMBL3100209 | 0.91 | SLC7A5 (0.43) | SLC7A5NOS2NOS3NOS1MEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110452258-B | Preparation method of dipeptide valine boron proline salt | 上海馨远医药科技有限公司 | 2021-01-01 | — | — | CN | claimed |
| CN-110452258-B | Preparation method of dipeptide valine boron proline salt | 上海馨远医药科技有限公司 | 2021-01-01 | — | — | CN | disclosed |
| CN-110452258-B | Preparation method of dipeptide valine boron proline salt | 上海馨远医药科技有限公司 | 2021-01-01 | — | — | CN | disclosed |
| CN-110452258-B | Preparation method of dipeptide valine boron proline salt | 上海馨远医药科技有限公司 | 2021-01-01 | — | — | CN | disclosed |