Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 12/20 | 0.42 |
| ▸ | IDH2 | P48735 | 6/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.38 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | SYK | P43405 | 3/20 | 0.36 |
| ▸ | RAF1 | P04049 | 1/20 | 0.35 |
| ▸ | BRAF | P15056 | 1/20 | 0.35 |
| ▸ | FLT3 | P36888 | 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 | |
|---|---|---|---|---|
| SCHEMBL21982053 | 0.81 | IDH1 (0.43) | IDH1IDH2ABCB1ABCC1ABCG2 | |
| SCHEMBL21980586 | 0.81 | IDH1 (0.48) | IDH1IDH2ABCB1ABCC1ABCG2 | |
| SCHEMBL16391820 | 0.81 | SYK (0.52) | IDH1IDH2ABCB1ABCC1ABCG2 | |
| SCHEMBL16392107 | 0.76 | IDH1 (0.60) | IDH1IDH2CYP1A2 | |
| SCHEMBL16391606 | 0.75 | ABCG2 (0.56) | IDH1IDH2ABCB1ABCC1ABCG2 | |
| SCHEMBL16392129 | 0.74 | IDH1 (0.67) | IDH1IDH2CYP1A2 | |
| SCHEMBL16392252 | 0.74 | IDH1 (0.51) | IDH1IDH2ABCB1ABCC1ABCG2 | |
| SCHEMBL16392209 | 0.74 | SYK (0.53) | IDH1IDH2ABCB1ABCC1ABCG2 | |
| SCHEMBL16392232 | 0.74 | IDH1 (0.52) | IDH1IDH2CYP1A2 | |
| SCHEMBL16391890 | 0.74 | IDH1 (0.52) | IDH1IDH2CYP1A2 |
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 |