Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.59 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.35 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.35 |
| ▸ | MAPK12 | P53778 | 2/20 | 0.35 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6664459 | 0.83 | HDAC6 (0.58) | HDAC6FGFR1LTA4H | |
| SCHEMBL8327824 | 0.80 | HDAC6 (0.59) | HDAC6FGFR1CYP17A1HDAC1MAPK1 | |
| SCHEMBL8326090 | 0.78 | HDAC6 (0.58) | HDAC6CYP1A2CYP3A4FGFR1 | |
| SCHEMBL6660983 | 0.73 | HDAC1 (0.62) | HDAC6CYP1A2CYP3A4CYP11B2HDAC1 | |
| SCHEMBL17187986 | 0.70 | HDAC6 (0.55) | HDAC6FGFR1HDAC1 | |
| SCHEMBL16036501 | 0.70 | FGFR1 (0.71) | HCAR1CYP1A2CYP3A4FGFR1CYP17A1 | |
| SCHEMBL900411 | 0.69 | CYP17A1 (0.71) | CYP1A2CYP3A4CYP17A1CYP11B1 | |
| SCHEMBL2623743 | 0.69 | HDAC6 (0.44) | HDAC6HDAC1LTA4HRPS6KA5RPS6KA4 | |
| SCHEMBL15645058 | 0.69 | HDAC6 (0.40) | HDAC6HDAC1LTA4H | |
| SCHEMBL277148 | 0.69 | HDAC6 (0.46) | HDAC6HDAC1LTA4HRPS6KA5RPS6KA4 |
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-1444982-A1 | The use of purine derivatives as selective kinase inhibitors | MERCKLE GMBH (DE) | 2004-08-11 | — | — | EP | disclosed |