Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | HCAR3 | P49019 | 3/20 | 0.35 |
| ▸ | LATS1 | O95835 | 2/20 | 0.35 |
| ▸ | LATS2 | Q9NRM7 | 1/20 | 0.35 |
| ▸ | HIPK2 | Q9H2X6 | 2/20 | 0.32 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 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 | |
|---|---|---|---|---|
| SCHEMBL17438503 | 1.00 | ALDH1A1 (0.36) | ALDH1A1TP53HSP90AA1CYP3A4THRB | |
| SCHEMBL15749115 | 1.00 | ALDH1A1 (0.36) | ALDH1A1TP53HSP90AA1CYP3A4THRB | |
| SCHEMBL15740890 | 0.88 | TLR8 (0.36) | HCAR3UHRF1EGFR | |
| SCHEMBL15740517 | 0.83 | UHRF1 (0.35) | SMN1; SMN2UHRF1EGFR | |
| SCHEMBL15740618 | 0.82 | IDH1 (0.33) | — | |
| SCHEMBL15749026 | 0.81 | TDP1 (0.36) | ALDH1A1TP53HSP90AA1CYP3A4THRB | |
| SCHEMBL19015540 | 0.80 | — | — | |
| SCHEMBL15741015 | 0.76 | ABL1 (0.32) | UHRF1EGFR | |
| SCHEMBL15740693 | 0.75 | UHRF1 (0.30) | UHRF1 | |
| SCHEMBL19013400 | 0.75 | HCAR3 (0.50) | ALDH1A1CYP3A4SMN1; SMN2TDP1L3MBTL1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3181564-B1 | AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS | HOFFMANN LA ROCHE (CH) | 2019-09-18 | — | — | EP | disclosed |
| 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 |