Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.50 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.50 |
| ▸ | CHRM3 | P20309 | 12/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 6/20 | 0.46 |
| ▸ | CHRM4 | P08173 | 6/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 6/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4243228 | 1.00 | KEAP1 (0.50) | KEAP1NFE2L2CHRM3CYP2C19CYP2C9 | |
| SCHEMBL4243455 | 1.00 | KEAP1 (0.50) | KEAP1NFE2L2CHRM3CYP2C19CYP2C9 | |
| SCHEMBL14587261 | 0.92 | KEAP1 (0.56) | KEAP1NFE2L2CHRM3CYP2C19CYP2C9 | |
| SCHEMBL4213705 | 0.92 | KEAP1 (0.61) | KEAP1NFE2L2CHRM3CYP2C19CYP2C9 | |
| SCHEMBL4203592 | 0.92 | KEAP1 (0.61) | KEAP1NFE2L2CHRM3CYP2C19CYP2C9 | |
| SCHEMBL4203042 | 0.92 | KEAP1 (0.61) | KEAP1NFE2L2CHRM3CYP2C19CYP2C9 | |
| SCHEMBL2788610 | 0.91 | KEAP1 (0.59) | KEAP1NFE2L2CHRM3CHRM2CHRM4 | |
| SCHEMBL9944022 | 0.88 | MEN1 (0.57) | KEAP1NFE2L2CHRM3CYP2C19CYP2C9 | |
| SCHEMBL22758114 | 0.85 | MAPT (0.55) | KEAP1NFE2L2CHRM3CYP2C19CYP2C9 | |
| SCHEMBL7550366 | 0.83 | MEN1 (0.44) | CHRM3CYP2C19CYP2C9MAPTKMT2A |
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-101490003-A | New alkyl esters of cyclic amino alcohols with muscarinic m3 receptor antagonist activity, useful for treating e.g. chronic bronchial obstruction, asthma and overactive bladder | ASTRAZENECA AB (SE) | 2009-07-22 | — | — | CN | disclosed |