Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 11/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD5 | P21918 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16666085 | 0.86 | DRD2 (0.43) | DRD2ABCB11CHRM2HTR1AADRA2A | |
| SCHEMBL23781326 | 0.86 | DRD2 (0.43) | DRD2ABCB11CHRM2HTR1AADRA2A | |
| SCHEMBL28646055 | 0.81 | DRD2 (0.45) | DRD2ABCB11CHRM2HTR1AADRA2A | |
| SCHEMBL28646057 | 0.81 | DRD2 (0.45) | DRD2ABCB11CHRM2HTR1AADRA2A | |
| SCHEMBL3834832 | 0.80 | KMT2A (0.52) | DRD2ABCB11CHRM2HTR1AADRA2A | |
| Bicarbonate SCHEMBL11359252 | 0.80 | PKM (0.44) | DRD2ADRA2A | |
| SCHEMBL2051051 | 0.80 | — | — | |
| SCHEMBL20377850 | 0.80 | CA1 (0.45) | DRD2ADRA2A | |
| SCHEMBL18380886 | 0.80 | CA1 (0.45) | DRD2ADRA2A | |
| SCHEMBL18073604 | 0.79 | DRD2 (0.45) | DRD2ABCB11CHRM2HTR1AADRA2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3057942-B1 | 1,4-CYCLOHEXYLAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF | CHEMO RES S L (ES) | 2017-06-14 | — | — | EP | disclosed |