Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 7/20 | 0.49 |
| ▸ | TNK2 | Q07912 | 5/20 | 0.45 |
| ▸ | CHEK1 | O14757 | 3/20 | 0.44 |
| ▸ | CDK1 | P06493 | 3/20 | 0.44 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.40 |
| ▸ | ERBB2 | P04626 | 3/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3047783 | 1.00 | EGFR (0.49) | EGFRTNK2CHEK1CDK1LTB4R | |
| SCHEMBL6750708 | 0.81 | KDM4E (0.54) | EGFRTNK2CHEK1CDK1 | |
| SCHEMBL3049690 | 0.81 | MCL1 (0.43) | LTB4RHDAC1 | |
| SCHEMBL6750702 | 0.81 | KDM4E (0.54) | EGFRTNK2CHEK1CDK1 | |
| SCHEMBL4530234 | 0.81 | KDM4E (0.54) | EGFRTNK2CHEK1CDK1 | |
| SCHEMBL4519959 | 0.80 | KDM4E (0.53) | EGFRTNK2CHEK1CDK1 | |
| SCHEMBL4519965 | 0.80 | KDM4E (0.53) | EGFRTNK2CHEK1CDK1 | |
| Monoethanolamine SCHEMBL4531691 | 0.78 | KDM4E (0.52) | EGFRTNK2CHEK1CDK1 | |
| SCHEMBL3047778 | 0.78 | KDM4E (0.41) | TNK2LTB4R | |
| SCHEMBL3047818 | 0.77 | HTT (0.39) | LTB4R |
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-2167482-A1 | SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES | Bayer Schering Pharma AG (DE) | 2010-03-31 | — | — | EP | disclosed |
| WO-2008155017-A1 | SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2008-12-24 | — | — | WO | disclosed |