Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.36 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.31 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.31 |
| ▸ | MET | P08581 | 1/20 | 0.30 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.30 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.30 |
| ▸ | IRAK4 | Q9NWZ3 | 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 | |
|---|---|---|---|---|
| SCHEMBL4995273 | 0.85 | MET (0.41) | GABRA1TMEM97MAP2K4KDM4EALDH1A1 | |
| SCHEMBL4985352 | 0.85 | GABRA1 (0.48) | GABRA1TMEM97MAP2K4KDM4EALDH1A1 | |
| SCHEMBL9906866 | 0.77 | GABRA1 (0.41) | GABRA1TMEM97MAP2K4KDM4EALDH1A1 | |
| SCHEMBL9906883 | 0.77 | MET (0.35) | GABRA1TMEM97MAP2K4METNR3C2 | |
| SCHEMBL1415058 | 0.76 | GABRA1 (0.47) | GABRA1TMEM97MAP2K4KDM4EALDH1A1 | |
| SCHEMBL4781102 | 0.75 | GABRA1 (0.41) | GABRA1MAP2K4GPR119NR1H2IRAK4 | |
| SCHEMBL4441866 | 0.75 | GABRA1 (0.50) | GABRA1TMEM97MAP2K4KDM4EALDH1A1 | |
| SCHEMBL4432848 | 0.73 | GABRA1 (0.48) | GABRA1TMEM97MAP2K4KDM4EALDH1A1 | |
| SCHEMBL3517327 | 0.72 | MAP2K4 (0.44) | GABRA1MAP2K4NR1H2 | |
| SCHEMBL931118 | 0.72 | ELANE (0.43) | MAP2K4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101558040-A | Dihydropyridine derivatives useful as protein kinase inhibitors | BAYER SCHERING PHARMA AG (DE) | 2009-10-14 | — | — | CN | disclosed |