Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.60 |
| ▸ | CES1 | P23141 | 1/20 | 0.60 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 4/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| 1,4-Dichlorobenzene SCHEMBL27440392 | 0.86 | HSD17B10 (0.58) | CES2CES1L3MBTL1ALDH1A1LMNA | |
| P-Xylene SCHEMBL5241939 | 0.86 | CYP2A6 (0.58) | CES2CES1ALDH1A1LMNAMAPT | |
| Formamide SCHEMBL28270031 | 0.84 | CES2 (0.54) | CES2CES1MAOAMAOBNPC1 | |
| Methyl Alcohol SCHEMBL28164649 | 0.83 | CES2 (0.64) | CES2CES1MAOAMAOBNPC1 | |
| P-Xylene SCHEMBL28001011 | 0.83 | CYP2A6 (0.55) | CES2CES1ALDH1A1LMNAMAPT | |
| SCHEMBL28318341 | 0.83 | CES2 (0.62) | CES2CES1MAOAMAOBNPC1 | |
| SCHEMBL6203955 | 0.83 | — | — | |
| SCHEMBL12679 | 0.83 | — | — | |
| Formaldehyde SCHEMBL26611578 | 0.80 | CES2 (0.61) | CES2CES1MAOAMAOBNPC1 | |
| SCHEMBL8070590 | 0.80 | CYP2A6 (0.76) | CES2CES1MAOAMAOBNPC1 |
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-102584709-B | A kind of preparation technology of the Eprosartan intermediate aryl imidazole aldehyde of improvement | 浙江华海药业股份有限公司 | 2016-08-17 | — | — | CN | disclosed |