Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.92 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.92 |
| ▸ | AURKA | O14965 | 2/20 | 0.92 |
| ▸ | PRKACA | P17612 | 1/20 | 0.92 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.62 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.62 |
| ▸ | RAB9A | P51151 | 3/20 | 0.62 |
| ▸ | NPC1 | O15118 | 2/20 | 0.62 |
| ▸ | KMO | O15229 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.55 |
| ▸ | RAF1 | P04049 | 1/20 | 0.55 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.55 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.55 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.55 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.55 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL316210 | 0.96 | HSP90AA1 (1.00) | HSP90AA1ADORA2AAURKAPRKACAHSP90AB1 | |
| Hydrochloric Acid SCHEMBL17186384 | 0.94 | HSP90AA1 (0.96) | HSP90AA1ADORA2AAURKAPRKACAHSP90AB1 | |
| SCHEMBL4202167 | 0.87 | HSP90AA1 (0.76) | HSP90AA1ADORA2AAURKAPRKACAHSP90AB1 | |
| SCHEMBL712182 | 0.86 | HSP90AA1 (0.69) | HSP90AA1ADORA2AAURKAPRKACAHSP90AB1 | |
| SCHEMBL28013042 | 0.84 | HSP90AA1 (0.71) | HSP90AA1ADORA2AAURKAPRKACAHSP90AB1 | |
| SCHEMBL21164006 | 0.83 | HSP90AA1 (0.70) | HSP90AA1ADORA2AAURKAPRKACAHSP90AB1 | |
| Trifluoroacetic Acid SCHEMBL28137418 | 0.81 | HSP90AA1 (0.72) | HSP90AA1ADORA2AAURKAPRKACAHSP90AB1 | |
| SCHEMBL13977475 | 0.81 | HSP90AA1 (0.62) | HSP90AA1ADORA2AAURKAPRKACAHSP90AB1 | |
| SCHEMBL17200126 | 0.80 | HSP90AA1 (0.66) | HSP90AA1ADORA2AAURKAPRKACAHSP90AB1 | |
| SCHEMBL3412705 | 0.80 | KMO (0.66) | HSP90AA1ADORA2AAURKAPRKACAHSP90AB1 |
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-2011136483-A1 | NOVEL COMPOUNDS FOR ORGANIC ELECTRONIC MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2011-11-03 | — | — | WO | disclosed |