Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 3/20 | 0.64 |
| ▸ | VCAM1 | P19320 | 2/20 | 0.60 |
| ▸ | CES2 | O00748 | 1/20 | 0.49 |
| ▸ | CES1 | P23141 | 1/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CASP6 | P55212 | 1/20 | 0.46 |
| ▸ | CDC25B | P30305 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1609756 | 1.00 | MAPK1 (0.64) | MAPK1VCAM1CES2CES1PTGS1 | |
| Ethyl Acetate SCHEMBL27685578 | 0.90 | MAPK1 (0.53) | MAPK1VCAM1CES2CES1PTGS1 | |
| SCHEMBL7298658 | 0.88 | MAPK1 (0.64) | MAPK1VCAM1CES2CES1PTGS2 | |
| SCHEMBL27907932 | 0.88 | VCAM1 (0.64) | MAPK1VCAM1CES2CES1PTGS2 | |
| SCHEMBL1610354 | 0.87 | MAPK1 (0.49) | MAPK1VCAM1CES2CES1PDK1 | |
| SCHEMBL7298368 | 0.87 | MAPK1 (0.62) | MAPK1VCAM1CES2CES1POLB | |
| SCHEMBL1610288 | 0.84 | KMT2A (0.47) | MAPK1VCAM1CES2CES1PDK1 | |
| SCHEMBL1609806 | 0.84 | CASP6 (0.66) | POLBTSHRCASP6KMT2ALMNA | |
| SCHEMBL7288836 | 0.84 | MAPK1 (0.56) | MAPK1VCAM1CES2CES1PTGS1 | |
| SCHEMBL30639029 | 0.84 | MAPT (0.54) | MAPK1CES2CES1TDP1MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2311792-B1 | Friedel-Crafts acylation for synthesis of aryl and heteroaryl-(3-ethyl-4-nitro-phenyl)-methanones | ROCHE DIAGNOSTICS GMBH (DE) | 2013-05-15 | — | — | EP | disclosed |
| EP-2311792-A1 | Friedel-Crafts acylation for synthesis of aryl and heteroaryl-(3-ethyl-4-nitro-phenyl)-methanones | Roche Diagnostics GmbH (DE) | 2011-04-20 | — | — | EP | disclosed |