Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 10/20 | 0.56 |
| ▸ | DRD3 | P35462 | 10/20 | 0.56 |
| ▸ | HTR2A | P28223 | 5/20 | 0.54 |
| ▸ | HTR1A | P08908 | 4/20 | 0.54 |
| ▸ | DRD4 | P21917 | 3/20 | 0.54 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.54 |
| ▸ | HTR2C | P28335 | 2/20 | 0.54 |
| ▸ | HTR7 | P34969 | 2/20 | 0.54 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.54 |
| ▸ | HRH1 | P35367 | 2/20 | 0.54 |
| ▸ | HTR2B | P41595 | 2/20 | 0.54 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.54 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.54 |
| ▸ | DRD1 | P21728 | 1/20 | 0.54 |
| ▸ | DRD5 | P21918 | 1/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.53 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.53 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL21026469 | 0.83 | DRD3 (0.54) | DRD2DRD3HTR2AHTR1ADRD4 | |
| SCHEMBL21026228 | 0.83 | DRD3 (0.57) | DRD2DRD3HTR2AHTR1ADRD4 | |
| SCHEMBL30855294 | 0.80 | DRD2 (0.53) | DRD2DRD3HTR2AHTR1ADRD4 | |
| SCHEMBL30855312 | 0.79 | DRD2 (0.69) | DRD2DRD3HTR2AHTR1ADRD4 | |
| SCHEMBL22383847 | 0.78 | DRD2 (0.56) | DRD2DRD3HTR2AHTR1ADRD4 | |
| SCHEMBL21729945 | 0.75 | DRD2 (0.69) | DRD2DRD3HTR2AHTR1ADRD4 | |
| SCHEMBL21026348 | 0.74 | DRD3 (0.61) | DRD2DRD3HTR2AHTR1ADRD4 | |
| SCHEMBL30855282 | 0.74 | DRD2 (0.64) | DRD2DRD3HTR2AHTR1ADRD4 | |
| SCHEMBL21026108 | 0.74 | DRD3 (0.61) | DRD2DRD3HTR2AHTR1ADRD4 | |
| SCHEMBL29282274 | 0.72 | DRD2 (0.67) | DRD2DRD3HTR2AHTR1ADRD4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020034945-A1 | METHOD FOR PREPARING CYCLOHEXANE DERIVATIVE | 浙江京新药业股份有限公司 | 2020-02-20 | — | — | WO | disclosed |
| WO-2020034946-A1 | METHOD FOR PREPARING CYCLOHEXANE DERIVATIVE | 浙江京新药业股份有限公司 | 2020-02-20 | — | — | WO | disclosed |