Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CETP | P11597 | 1/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.42 |
| ▸ | HTR2C | P28335 | 3/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | AXL | P30530 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.42 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP4 | P49662 | 1/20 | 0.39 |
| ▸ | CASP5 | P51878 | 1/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | DRD3 | P35462 | 2/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3655755 | 0.80 | CETP (0.49) | CETPHTR2CHTR6ADRB1CASP1 | |
| SCHEMBL5500376 | 0.80 | DRD2 (0.46) | DRD2DRD3 | |
| SCHEMBL2254829 | 0.79 | ADRB2 (0.51) | ADRB2HTR2CADRA2AAXLHRH1 | |
| SCHEMBL3653384 | 0.76 | HRH4 (0.57) | CETPHTR6ADRB1CASP1CASP4 | |
| SCHEMBL1045813 | 0.74 | DRD2 (0.50) | DRD2DRD3 | |
| SCHEMBL6224825 | 0.73 | HRH3 (0.54) | CETPHTR2CHTR6ADRB1HRH4 | |
| SCHEMBL9843933 | 0.71 | GPR84 (0.37) | NPSR1 | |
| SCHEMBL27454448 | 0.70 | GABRA2 (0.36) | CETPNPSR1 | |
| SCHEMBL30954210 | 0.70 | ADRB1 (0.47) | ADRB2HTR2CADRA2AAXLHRH1 | |
| SCHEMBL1764382 | 0.70 | DRD2 (0.49) | CASP1CASP4CASP5HRH4DRD2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101511805-B | As dopamine D3Novel carbonylated (aza) cyclohexanes with receptor ligands | BIOPROJET SOC CIV | 2013-10-30 | — | — | CN | disclosed |
| CN-101511805-A | As dopamine D3Novel carbonylated (aza) cyclohexanes with receptor ligands | BIOPROJET SOC CIV (FR) | 2009-08-19 | — | — | CN | disclosed |
| EP-1763522-A1 | PYRIDIN-2-ONE COMPOUNDS AND THEIR USE AS MODULATORS OF THE DOPAMINE D3 RECEPTOR | Abbott GmbH & Co. KG (DE) | 2007-03-21 | — | — | EP | disclosed |
| EP-1751116-A2 | PYRIMIDINE COMPOUNDS AND USE THEREOF | Abbott GmbH & Co. KG (DE) | 2007-02-14 | — | — | EP | disclosed |
| WO-2005118558-A2 | PYRIMIDINE COMPOUNDS AND USE THEREOF | ABBOTT GMBH & CO. KG (DE) | 2005-12-15 | — | — | WO | disclosed |
| WO-2005118571-A1 | PYRIDIN-2-ONE COMPOUNDS AND THEIR USE AS MODULATORS OF THE DOPAMINE D3 RECEPTOR | ABBOTT GMBH & CO. KG (DE) | 2005-12-15 | — | — | WO | disclosed |
| EP-1601659-A1 | PYRIMIDIN-2-ONE COMPOUNDS AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS | Abbott GmbH & Co. KG (DE) | 2005-12-07 | — | — | EP | disclosed |
| WO-2004080981-A1 | PYRIMIDIN-2-ONE COMPOUNDS AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS | ABBOTT GMBH & CO. KG (DE) | 2004-09-23 | — | — | WO | disclosed |
| CN-1267286-A | 2-{3-[4-(2-t-butyl-6-trifluoromethylpyridin-4-yl) piperazin-1-yl] propylmercapto} pyrimidin-4-ol-fumarate | BASF AG (DE) | 2000-09-20 | — | — | CN | disclosed |