Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.37 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.37 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.36 |
| ▸ | PARP1 | P09874 | 3/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | CDK9 | P50750 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20311130 | 0.85 | EGFR (0.44) | EGFRKDM4EKMT2AMAPTPARP1 | |
| SCHEMBL12655661 | 0.84 | EGFR (0.40) | EGFRKDM4EGAAKMT2AAURKA | |
| SCHEMBL12655657 | 0.84 | HSD17B10 (0.43) | EGFRKDM4EGAAKMT2AMAPT | |
| SCHEMBL16623590 | 0.84 | EGFR (0.37) | EGFRAURKAAURKBINCENPPARP1 | |
| SCHEMBL20246564 | 0.82 | PTGS1 (0.43) | EGFRMAPTPARP1EPHX2 | |
| SCHEMBL20311022 | 0.82 | EGFR (0.42) | EGFRKDM4EKMT2AMAPTEPHX1 | |
| SCHEMBL20245973 | 0.81 | EGFR (0.44) | EGFRJAK2 | |
| SCHEMBL12655541 | 0.81 | PTGS1 (0.48) | GAAKMT2AMAPTTDP1TP53 | |
| SCHEMBL20246267 | 0.80 | EGFR (0.43) | EGFR | |
| SCHEMBL20246252 | 0.80 | MEN1 (0.48) | EGFRKDM4EKMT2ATSHRJAK2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2976339-B1 | GEMINALLY SUBSTITUTED CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME (US) | 2018-06-27 | — | — | EP | disclosed |
| EP-2857400-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2015-04-08 | — | — | EP | disclosed |