Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 1/20 | 0.43 |
| ▸ | GLS | O94925 | 15/20 | 0.43 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19021038 | 0.86 | DPP4 (0.42) | DPP4GLSCA5A | |
| SCHEMBL31124067 | 0.85 | DPP4 (0.49) | DPP4GLSGRM2CA5A | |
| SCHEMBL17396743 | 0.80 | GLS (0.43) | DPP4GLS | |
| SCHEMBL17396732 | 0.80 | GLS (0.43) | DPP4GLS | |
| SCHEMBL29224209 | 0.79 | DPP4 (0.42) | DPP4GLSGRM2CA5A | |
| SCHEMBL17396812 | 0.79 | GLS (0.39) | GLS | |
| SCHEMBL17389096 | 0.79 | GLS (0.39) | GLS | |
| SCHEMBL22062686 | 0.78 | DPP4 (0.46) | DPP4GLSCA5A | |
| SCHEMBL4780340 | 0.77 | DPP4 (0.42) | DPP4GLSCA5A | |
| SCHEMBL19050259 | 0.76 | GLS (0.39) | DPP4GLS |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017112831-A1 | SALT FORMS AND POLYMORPHS OF (R)-1-(4-(6-(2-(4-(3,3-DIFLUOROCYCLOBUTOXY)-6-METHYLPYRIDIN-2-YL) ACETAMIDO) PYRIDAZIN-3-YL)-2-FLUOROBUTYL)-N-METHYL-1H-1,2,3-TRIAZOLE-4-CARBOXAMIDE | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2017-06-29 | — | — | WO | disclosed |