Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SYK | P43405 | 2/20 | 0.53 |
| ▸ | IDH2 | P48735 | 6/20 | 0.49 |
| ▸ | IDH1 | O75874 | 5/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.42 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | FLT3 | P36888 | 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 | |
|---|---|---|---|---|
| SCHEMBL16391606 | 0.87 | ABCG2 (0.56) | SYKIDH2IDH1CYP1A2ABCG2 | |
| SCHEMBL20018030 | 0.86 | IDH1 (0.67) | SYKIDH2IDH1 | |
| SCHEMBL16392252 | 0.86 | IDH1 (0.51) | SYKIDH2IDH1CYP1A2ABCG2 | |
| SCHEMBL16391817 | 0.84 | IDH1 (0.49) | IDH2IDH1CYP1A2ABCG2ABCB1 | |
| SCHEMBL16391819 | 0.83 | SYK (0.52) | SYKIDH2IDH1CYP1A2ABCG2 | |
| SCHEMBL16392209 | 0.83 | SYK (0.53) | SYKIDH2IDH1CYP1A2ABCG2 | |
| SCHEMBL16392149 | 0.83 | IDH2 (0.48) | SYKIDH2IDH1CYP1A2ABCG2 | |
| SCHEMBL16391732 | 0.83 | IDH1 (0.48) | IDH2IDH1CYP1A2ABCG2ABCB1 | |
| SCHEMBL16392130 | 0.83 | IDH1 (0.48) | IDH2IDH1CYP1A2ABCG2ABCB1 | |
| SCHEMBL16392122 | 0.83 | SYK (0.54) | SYKIDH2IDH1CYP1A2 |
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 |