Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.67 |
| ▸ | SLC1A2 | P43004 | 7/20 | 0.53 |
| ▸ | SLC1A3 | P43003 | 6/20 | 0.53 |
| ▸ | SLC1A1 | P43005 | 7/20 | 0.46 |
| ▸ | BHMT | Q93088 | 3/20 | 0.41 |
| ▸ | HMGCR | P04035 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | GRIK1 | P39086 | 6/20 | 0.40 |
| ▸ | GRIK2 | Q13002 | 3/20 | 0.40 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.37 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.37 |
| ▸ | GRIK3 | Q13003 | 1/20 | 0.37 |
| ▸ | GRIK5 | Q16478 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Leucine SCHEMBL28147562 | 0.84 | SLC7A5 (0.78) | SLC7A5SLC1A2SLC1A3SLC1A1GRIK1 | |
| Citric Acid SCHEMBL7520219 | 0.84 | SLC7A5 (0.64) | SLC7A5SLC1A2SLC1A3SLC1A1BHMT | |
| Citric Acid SCHEMBL7520214 | 0.84 | SLC7A5 (0.64) | SLC7A5SLC1A2SLC1A3SLC1A1BHMT | |
| Leucine SCHEMBL15602684 | 0.82 | SLC7A5 (0.90) | SLC7A5SLC1A2SLC1A3SLC1A1GRIK1 | |
| Leucine SCHEMBL25241602 | 0.82 | SLC7A5 (1.00) | SLC7A5SLC1A2SLC1A3SLC1A1GRIK1 | |
| D-Leucine SCHEMBL42012 | 0.82 | — | — | |
| Leucine SCHEMBL8568063 | 0.82 | SLC7A5 (1.00) | SLC7A5SLC1A2SLC1A3SLC1A1GRIK1 | |
| Leucine SCHEMBL3888 | 0.82 | — | — | |
| Leucine SCHEMBL331557 | 0.82 | SLC7A5 (1.00) | SLC7A5SLC1A2SLC1A3SLC1A1GRIK1 | |
| Leucine SCHEMBL2478164 | 0.82 | SLC7A5 (1.00) | SLC7A5SLC1A2SLC1A3SLC1A1GRIK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3694646-A1 | A STREAMLINED METHOD FOR ANALYTICAL VALIDATION OF BIOCHEMICALS DETECTED USING AN UNTARGETED MASS-SPECTROMETRY PLATFORM | Metabolon, Inc. (US) | 2020-08-19 | — | — | EP | disclosed |
| WO-2019074757-A1 | A STREAMLINED METHOD FOR ANALYTICAL VALIDATION OF BIOCHEMICALS DETECTED USING AN UNTARGETED MASS-SPECTROMETRY PLATFORM | METABOLON, INC. (US) | 2019-04-18 | — | — | WO | disclosed |