Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
The experimentally established mechanism targets of Leucine. 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 | 0.53 |
| ▸ | SLC1A2 | P43004 | 7/20 | 0.44 |
| ▸ | SLC1A3 | P43003 | 6/20 | 0.44 |
| ▸ | SLC1A1 | P43005 | 7/20 | 0.41 |
| ▸ | GRIK1 | P39086 | 6/20 | 0.36 |
| ▸ | GRIK2 | Q13002 | 5/20 | 0.36 |
| ▸ | LAP3 | P28838 | 2/20 | 0.34 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.33 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.33 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.33 |
| ▸ | DPP9 | Q86TI2 | 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 | |
|---|---|---|---|---|
| Leucine SCHEMBL8007496 | 1.00 | SLC7A5 (0.53) | SLC7A5SLC1A2SLC1A3SLC1A1GRIK1 | |
| Leucine SCHEMBL5494110 | 0.94 | SLC7A5 (0.60) | SLC7A5SLC1A2SLC1A3SLC1A1GRIK1 | |
| Leucine SCHEMBL3497616 | 0.94 | SLC7A5 (0.60) | SLC7A5SLC1A2SLC1A3SLC1A1GRIK1 | |
| Leucine SCHEMBL3497103 | 0.94 | SLC7A5 (0.60) | SLC7A5SLC1A2SLC1A3SLC1A1GRIK1 | |
| Leucine SCHEMBL21747499 | 0.94 | SLC7A5 (0.60) | SLC7A5SLC1A2SLC1A3SLC1A1GRIK1 | |
| Leucine SCHEMBL27481735 | 0.94 | SLC7A5 (0.60) | SLC7A5SLC1A2SLC1A3SLC1A1GRIK1 | |
| Isoleucine SCHEMBL8886412 | 0.92 | SLC1A1 (0.39) | SLC7A5SLC1A2SLC1A3SLC1A1GRIK1 | |
| Isoleucine SCHEMBL22664570 | 0.92 | SLC1A1 (0.39) | SLC7A5SLC1A2SLC1A3SLC1A1GRIK1 | |
| Isoleucine SCHEMBL16401105 | 0.92 | SLC1A1 (0.39) | SLC7A5SLC1A2SLC1A3SLC1A1GRIK1 | |
| Leucine SCHEMBL5162375 | 0.91 | SLC7A5 (0.56) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105233286-A | Preparation containing acid-sensing ion channel regulating agent and usage of preparation containing acid-sensing ion channel regulating agent for treatment of pruritus | SHANGHAI JIAOTONG UNIV SCHOOL MEDICINE | 2016-01-13 | — | — | CN | disclosed |