Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.30 |
| ▸ | BTK | Q06187 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14206542 | 0.82 | KDM4E (0.38) | KDM4EKMT2AALDH1A1CYP2D6 | |
| SCHEMBL14206526 | 0.78 | KDM4E (0.39) | KDM4EKMT2AALDH1A1CYP2D6THRB | |
| SCHEMBL14328407 | 0.75 | KDM4E (0.36) | KDM4EKMT2AALDH1A1CYP2D6THRB | |
| SCHEMBL14206538 | 0.74 | ALDH1A1 (0.52) | KDM4EKMT2AALDH1A1THRBCNR1 | |
| SCHEMBL14328409 | 0.73 | KMT2A (0.37) | KDM4EKMT2AALDH1A1CYP2D6 | |
| SCHEMBL10151539 | 0.71 | CYP3A4 (0.48) | KDM4EKMT2AALDH1A1CYP2D6MAOA | |
| SCHEMBL2728269 | 0.71 | IRAK4 (0.47) | — | |
| SCHEMBL3223186 | 0.70 | ADRA2C (0.47) | KDM4EKMT2AALDH1A1CYP2D6 | |
| SCHEMBL14330869 | 0.70 | ALDH1A1 (0.37) | KDM4EKMT2AALDH1A1CYP2D6CNR1 | |
| SCHEMBL14330890 | 0.70 | ALDH1A1 (0.34) | KDM4EKMT2AALDH1A1CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012058174-A1 | NOVEL THIAZOLE-CARBOXAMIDE DERIVATIVES AS PDK1 INHIBITORS | SCHERING CORPORATION (US) | 2012-05-03 | — | — | WO | disclosed |