Known targets — ChEMBL curated mechanism
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
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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC7A5 | Q01650 | 2/20 | 0.79 |
| ▸ | LAP3 | P28838 | 4/20 | 0.52 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.41 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.41 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.41 |
| ▸ | ANPEP | P15144 | 1/20 | 0.38 |
| ▸ | GLUL | P15104 | 1/20 | 0.38 |
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 SCHEMBL29415345 | 1.00 | SLC7A5 (0.79) | SLC7A5LAP3SLC1A3SLC1A2SLC1A1 | |
| Valine SCHEMBL16010343 | 1.00 | SLC7A5 (0.79) | SLC7A5LAP3SLC1A3SLC1A2SLC1A1 | |
| Valine SCHEMBL1758770 | 1.00 | SLC7A5 (0.79) | SLC7A5LAP3SLC1A3SLC1A2SLC1A1 | |
| Valine SCHEMBL11539550 | 0.90 | SLC7A5 (0.71) | SLC7A5LAP3SLC1A3SLC1A2SLC1A1 | |
| Valine SCHEMBL8516 | 0.89 | — | — | |
| Valine SCHEMBL8515 | 0.89 | — | — | |
| Valine SCHEMBL288203 | 0.89 | SLC7A5 (1.00) | SLC7A5LAP3SLC1A3SLC1A2SLC1A1 | |
| Valine SCHEMBL1813972 | 0.89 | SLC7A5 (1.00) | SLC7A5LAP3SLC1A3SLC1A2SLC1A1 | |
| Valine SCHEMBL41225 | 0.89 | SLC7A5 (1.00) | SLC7A5LAP3SLC1A3SLC1A2SLC1A1 | |
| Valine SCHEMBL2785563 | 0.89 | SLC7A5 (1.00) | SLC7A5LAP3SLC1A3SLC1A2SLC1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-3033834-A | — | — | None | — | — | JP | disclosed |
| JP-55066597-A | — | — | None | — | — | JP | disclosed |
| EP-2499154-A1 | TREATMENTS FOR GASTROINTESTINAL DISORDERS | Ironwood Pharmaceuticals, Inc. (US) | 2012-09-19 | — | — | EP | disclosed |
| WO-2011057272-A1 | TREATMENTS FOR GASTROINTESTINAL DISORDERS | IRONWOOD PHARMACEUTICALS, INC. (US) | 2011-05-12 | — | — | WO | disclosed |
| JP-H0333834-A | ORGANIC NONLINEAR OPTICAL MATERIAL | HOYA CORP | 1991-02-14 | — | — | JP | disclosed |
| JP-S5566597-A | AMINOPHOSPHORIC ACID SALT DERIVED FROM CYCLIC PHOSPHORIC ACID SALT AND AMINO ACID | PORIHOSU KAGAKU KENKYUSHO:KK | 1980-05-20 | — | — | JP | disclosed |