Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 4/20 | 0.39 |
| ▸ | IDH2 | P48735 | 3/20 | 0.39 |
| ▸ | AR | P10275 | 5/20 | 0.37 |
| ▸ | JAK1 | P23458 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.31 |
| ▸ | HTR7 | P34969 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21724896 | 0.77 | AR (0.41) | ARSLC6A2SLC6A4SLC6A3HTR7 | |
| SCHEMBL25074389 | 0.76 | AR (0.41) | ARSLC6A2SLC6A4SLC6A3CYP3A4 | |
| SCHEMBL12096360 | 0.74 | ALDH1A1 (0.45) | IDH1IDH2ALDH1A1SMN1; SMN2TP53 | |
| SCHEMBL1819250 | 0.74 | ALDH1A1 (0.45) | IDH1IDH2ALDH1A1SMN1; SMN2TP53 | |
| SCHEMBL9921726 | 0.73 | — | — | |
| SCHEMBL17447788 | 0.72 | IDH1 (0.33) | IDH1IDH2 | |
| SCHEMBL9918223 | 0.71 | — | — | |
| SCHEMBL15740618 | 0.71 | IDH1 (0.33) | IDH1IDH2 | |
| SCHEMBL19160234 | 0.71 | IDH1 (0.33) | IDH1IDH2 | |
| SCHEMBL1819196 | 0.70 | ALDH1A1 (0.50) | IDH1IDH2ALDH1A1SMN1; SMN2TP53 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2922851-B1 | AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS | GENENTECH INC (US) | 2017-07-26 | — | — | EP | disclosed |
| EP-3181564-A1 | AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS | Genentech, Inc. (US) | 2017-06-21 | — | — | EP | disclosed |
| WO-2014081718-A1 | AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS | GENENTECH, INC. (US) | 2014-05-30 | — | — | WO | disclosed |