Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 19/20 | 0.48 |
| ▸ | IDH2 | P48735 | 3/20 | 0.41 |
| ▸ | TGFBR1 | P36897 | 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 | |
|---|---|---|---|---|
| SCHEMBL16391758 | 0.90 | IDH1 (0.54) | IDH1IDH2 | |
| SCHEMBL21977052 | 0.87 | IDH1 (0.51) | IDH1IDH2TGFBR1 | |
| SCHEMBL21982017 | 0.85 | IDH1 (0.58) | IDH1IDH2 | |
| SCHEMBL16392185 | 0.84 | IDH1 (0.62) | IDH1IDH2 | |
| SCHEMBL16392198 | 0.83 | IDH1 (0.47) | IDH1IDH2TGFBR1 | |
| SCHEMBL21981964 | 0.82 | IDH1 (0.54) | IDH1IDH2 | |
| SCHEMBL16391759 | 0.79 | IDH1 (0.52) | IDH1IDH2 | |
| SCHEMBL16391846 | 0.78 | IDH1 (0.57) | IDH1IDH2 | |
| SCHEMBL16391613 | 0.77 | IDH1 (0.54) | IDH1IDH2TGFBR1 | |
| SCHEMBL21977245 | 0.76 | IDH1 (0.49) | IDH1IDH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3019480-B1 | 2,4- OR 4,6-DIAMINOPYRIMIDINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER | AGIOS PHARMACEUTICALS INC (US) | 2020-05-06 | — | — | EP | disclosed |