Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH2 | P48735 | 11/20 | 0.49 |
| ▸ | IDH1 | O75874 | 8/20 | 0.48 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.48 |
| ▸ | KDR | P35968 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | SYK | P43405 | 2/20 | 0.42 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.39 |
| ▸ | FPR2 | P25090 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL16392103 | 0.94 | IDH2 (0.56) | IDH2IDH1ABCB11ADORA3CHRM1 | |
| SCHEMBL21980586 | 0.84 | IDH1 (0.48) | IDH2IDH1SYKABCG2ABCB1 | |
| SCHEMBL16392148 | 0.84 | IDH1 (0.64) | IDH2IDH1ABCB11ADORA3CHRM1 | |
| SCHEMBL16392228 | 0.83 | IDH1 (0.70) | IDH2IDH1ABCB11ADORA3CHRM1 | |
| SCHEMBL15102508 | 0.81 | IDH2 (0.73) | IDH2IDH1ABCB11ADORA3CHRM1 | |
| SCHEMBL16391748 | 0.81 | IDH2 (0.70) | IDH2IDH1ABCB11ADORA3CHRM1 | |
| SCHEMBL16391840 | 0.78 | IDH1 (0.75) | IDH2IDH1ABCB11ADORA3CHRM1 | |
| SCHEMBL16392252 | 0.77 | IDH1 (0.51) | IDH2IDH1ABCB11ADORA3CHRM1 | |
| SCHEMBL16392124 | 0.77 | IDH2 (0.58) | IDH2IDH1ABCB11ADORA3CHRM1 | |
| SCHEMBL16392109 | 0.76 | IDH1 (0.64) | IDH2IDH1ABCB11ADORA3CHRM1 |
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 |