Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 12/20 | 0.48 |
| ▸ | HTR1A | P08908 | 2/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.44 |
| ▸ | DRD4 | P21917 | 2/20 | 0.44 |
| ▸ | HTR2A | P28223 | 2/20 | 0.44 |
| ▸ | HTR2C | P28335 | 2/20 | 0.44 |
| ▸ | HTR7 | P34969 | 2/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.44 |
| ▸ | HRH1 | P35367 | 2/20 | 0.44 |
| ▸ | DRD3 | P35462 | 2/20 | 0.44 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 1/20 | 0.44 |
| ▸ | DRD5 | P21918 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 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 | |
|---|---|---|---|---|
| SCHEMBL28006699 | 0.84 | DRD2 (0.49) | DRD2HTR1AADRA2ADRD4HTR2A | |
| SCHEMBL16655846 | 0.84 | DRD2 (0.49) | DRD2HTR1AADRA2ADRD4HTR2A | |
| SCHEMBL18073602 | 0.84 | DRD2 (0.49) | DRD2HTR1AADRA2ADRD4HTR2A | |
| SCHEMBL16654377 | 0.84 | DRD2 (0.49) | DRD2HTR1AADRA2ADRD4HTR2A | |
| SCHEMBL28006700 | 0.84 | DRD2 (0.49) | DRD2HTR1AADRA2ADRD4HTR2A | |
| SCHEMBL28006466 | 0.83 | DRD2 (0.48) | DRD2HTR1AADRA2ADRD4HTR2A | |
| SCHEMBL28006465 | 0.83 | DRD2 (0.48) | DRD2HTR1AADRA2ADRD4HTR2A | |
| SCHEMBL29324645 | 0.83 | DRD2 (0.48) | DRD2HTR1AADRA2ADRD4HTR2A | |
| SCHEMBL3834832 | 0.82 | KMT2A (0.52) | DRD2HTR1AADRA2ADRD4HTR2A | |
| SCHEMBL2051051 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |