Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 2/20 | 0.52 |
| ▸ | CSNK1D | P48730 | 2/20 | 0.47 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.47 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | HTR6 | P50406 | 3/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR7 | P34969 | 1/20 | 0.43 |
| ▸ | HTR5A | P47898 | 1/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.43 |
| ▸ | NCF1 | P14598 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.43 |
| ▸ | HTR3B | O95264 | 1/20 | 0.43 |
| ▸ | HTR3A | P46098 | 1/20 | 0.43 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.43 |
| ▸ | HTR3C | Q8WXA8 | 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 | |
|---|---|---|---|---|
| SCHEMBL1686083 | 0.82 | MET (0.45) | ALDH1A1NPSR1KDM4ELMNA | |
| SCHEMBL1686076 | 0.82 | CSNK1D (0.47) | ADRB2CSNK1DMAPK11MAPK14CYP1A2 | |
| SCHEMBL1686127 | 0.82 | ACVR1 (0.45) | ADRB2CSNK1DMAPK11MAPK14CYP1A2 | |
| SCHEMBL7943088 | 0.78 | ADRB2 (0.55) | ADRB2CYP1A2CYP2C19CYP2C9HTR1A | |
| SCHEMBL1686085 | 0.76 | CKS1B (0.55) | — | |
| SCHEMBL2954143 | 0.75 | MAPK14 (0.60) | ADRB2CSNK1DMAPK11MAPK14CYP1A2 | |
| Hydrochloric Acid SCHEMBL2955401 | 0.74 | MAPK14 (0.58) | ADRB2CSNK1DMAPK11MAPK14CYP1A2 | |
| SCHEMBL10465983 | 0.73 | ADRB1 (0.68) | ADRB2CSNK1DMAPK11MAPK14CYP1A2 | |
| SCHEMBL10630930 | 0.73 | ADRB1 (0.60) | ADRB2CSNK1DMAPK11MAPK14CYP1A2 | |
| SCHEMBL27687352 | 0.73 | HTR1A (0.54) | ADRB2HTR6HTR1AHTR2AHTR7 |
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-2010012758-A1 | PIPERAZIN-1-YL-TRIFLUOROMETHYL-SUBSTITUTED-PYRIDINES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS | JANSSEN PHARMACEUTICA NV (BE) | 2010-02-04 | — | — | WO | disclosed |