Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM8 | O00222 | 1/20 | 0.47 |
| ▸ | GRM6 | O15303 | 1/20 | 0.47 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.47 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.47 |
| ▸ | GSR | P00390 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.47 |
| ▸ | GRM5 | P41594 | 1/20 | 0.47 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.47 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.47 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.47 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.47 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.47 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.47 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.47 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.47 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.47 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.47 |
| ▸ | GRIK3 | Q13003 | 1/20 | 0.47 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Aspartic Acid SCHEMBL12497588 | 0.86 | FFAR1 (0.41) | CYP1A2ANPEPTRPM8 | |
| Aspartic Acid SCHEMBL7941870 | 0.86 | FFAR1 (0.41) | CYP1A2ANPEPTRPM8 | |
| Aspartic Acid SCHEMBL17727762 | 0.86 | FFAR1 (0.41) | CYP1A2ANPEPTRPM8 | |
| Aspartic Acid SCHEMBL31547831 | 0.86 | FFAR1 (0.41) | CYP1A2ANPEPTRPM8 | |
| SCHEMBL29547070 | 0.80 | PIN1 (0.45) | GRM8GRM6GRIN2DGRIN3BGSR | |
| D-Glutamate SCHEMBL561574 | 0.80 | SLC1A3 (0.64) | GRM8GRM6GRIN2DGRIN3BGSR | |
| Cadaverine Tartrate SCHEMBL4206534 | 0.79 | TRPM8 (0.44) | ANPEPTRPM8 | |
| Cadaverine Tartrate SCHEMBL17727764 | 0.79 | TRPM8 (0.44) | ANPEPTRPM8 | |
| Cadaverine Tartrate SCHEMBL17727763 | 0.79 | TRPM8 (0.44) | ANPEPTRPM8 | |
| Malic Acid SCHEMBL17941669 | 0.78 | FFAR1 (0.44) | TRPM8 |
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 |
|---|---|---|---|---|---|---|---|
| US-6251861-B1 | CYCLO(D-ASP-ASP(R1)-ASP-D-THG(2)-LEU-TRP) DISODIUM SALT, WHERE ASP(R1) IS AN ASPARTIC ACID BETA-4-PHENYLPIPERAZINE AMIDE RESIDUE AND THG(2) IS 2-(2-THIENYL)GLYCINE; ANTI-ENDOTHELIN ACTIVITY | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-06-26 | — | — | US | disclosed |