Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 11/20 | 0.42 |
| ▸ | DRD3 | P35462 | 3/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | DRD5 | P21918 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20659690 | 1.00 | DRD2 (0.42) | DRD2DRD3HTR1AHTR2AKCNH2 | |
| SCHEMBL3834832 | 0.82 | KMT2A (0.52) | DRD2DRD3HTR1AHTR2AKCNH2 | |
| SCHEMBL20377850 | 0.81 | CA1 (0.45) | DRD2ADRA2A | |
| SCHEMBL2051051 | 0.81 | — | — | |
| SCHEMBL18380886 | 0.81 | CA1 (0.45) | DRD2ADRA2A | |
| SCHEMBL23781326 | 0.81 | DRD2 (0.43) | DRD2DRD3HTR1AHTR2AKCNH2 | |
| SCHEMBL16666085 | 0.81 | DRD2 (0.43) | DRD2DRD3HTR1AHTR2AKCNH2 | |
| SCHEMBL18073604 | 0.80 | DRD2 (0.45) | DRD2DRD3HTR1AHTR2AKCNH2 | |
| SCHEMBL228161 | 0.80 | ATM (0.40) | DRD2DRD3HTR2A | |
| SCHEMBL228162 | 0.80 | ATM (0.40) | DRD2DRD3HTR2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110818678-B | Method for preparing cyclohexane derivative | 浙江京新药业股份有限公司 | 2022-04-01 | — | — | CN | 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 |
| WO-2019016828-A1 | NOVEL PROCESSES FOR THE PREPARATION OF TRANS-N-{4-[2-[4-(2,3-DICHLOROPHENYL)PIPERAZINE-1-YL]ETHYL] CYCLOHEXYL}-N',N'-DIMETHYLUREA HYDROCHLORIDE AND POLYMORPHS THEREOF | MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) | 2019-01-24 | — | — | WO | disclosed |
| CN-104496854-B | Dimethyl carbamide compounds of 3 cyclohexyl 1,1 and its preparation method and application | 上海医药工业研究院 | 2017-09-22 | — | — | CN | disclosed |