Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.36 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.36 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14096679 | 0.90 | PDK2 (0.50) | PDK2MAPTPTGS1PTGS2SMN1; SMN2 | |
| SCHEMBL21845661 | 0.85 | PDK2 (0.52) | PDK2MAPTPTGS1PTGS2SMN1; SMN2 | |
| SCHEMBL13423231 | 0.79 | PDK2 (0.56) | PDK2ALDH1A1CNR2CYP2C9MEN1 | |
| SCHEMBL14096680 | 0.79 | ALDH1A1 (0.40) | PDK2ALDH1A1HPGDCNR2HTT | |
| SCHEMBL13423252 | 0.77 | PDK2 (0.58) | PDK2ALDH1A1CNR2CYP2C9MEN1 | |
| SCHEMBL13423257 | 0.77 | PDK2 (0.58) | PDK2ALDH1A1CNR2CYP2C9MEN1 | |
| SCHEMBL13423232 | 0.77 | PDK2 (0.58) | PDK2ALDH1A1CNR2CYP2C9MEN1 | |
| SCHEMBL14096678 | 0.76 | BCL2L1 (0.42) | PDK2MAPTALDH1A1HPGDMAPK1 | |
| SCHEMBL13423246 | 0.76 | PDK2 (0.57) | PDK2ALDH1A1CNR2CYP2C9MEN1 | |
| SCHEMBL13423239 | 0.74 | PDK2 (0.48) | PDK2ATMTDP1L3MBTL1HTR7 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3211058-A1 | NEW MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | Merck Patent GmbH (DE) | 2017-08-30 | — | — | EP | disclosed |