Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 12/20 | 0.45 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.45 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 6/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 6/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 6/20 | 0.42 |
| ▸ | ESR1 | P03372 | 4/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TYR | P14679 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | ESRRG | P62508 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL4203042 | 0.86 | KEAP1 (0.61) | CHRM3KEAP1NFE2L2CHRM2CHRM4 | |
| SCHEMBL4203592 | 0.86 | KEAP1 (0.61) | CHRM3KEAP1NFE2L2CHRM2CHRM4 | |
| SCHEMBL4213705 | 0.86 | KEAP1 (0.61) | CHRM3KEAP1NFE2L2CHRM2CHRM4 | |
| SCHEMBL9899047 | 0.85 | CHRM3 (0.44) | CHRM3KEAP1NFE2L2CHRM2CHRM4 | |
| SCHEMBL3554824 | 0.85 | CHRM3 (0.44) | CHRM3KEAP1NFE2L2CHRM2CHRM4 | |
| SCHEMBL2788610 | 0.84 | KEAP1 (0.59) | CHRM3KEAP1NFE2L2CHRM2CHRM4 | |
| SCHEMBL14587261 | 0.82 | KEAP1 (0.56) | CHRM3KEAP1NFE2L2CHRM2CHRM4 | |
| SCHEMBL4426942 | 0.82 | CHRM3 (0.42) | CHRM3KEAP1NFE2L2CHRM2CHRM4 | |
| SCHEMBL16735582 | 0.79 | EPHX2 (0.45) | CHRM3CHRM2CHRM4CHRM1ALDH1A1 | |
| SCHEMBL4243455 | 0.78 | KEAP1 (0.50) | CHRM3KEAP1NFE2L2CHRM2CHRM4 |
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 |