Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 9/20 | 0.56 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.45 |
| ▸ | HTR3B | O95264 | 3/20 | 0.45 |
| ▸ | HTR3A | P46098 | 3/20 | 0.45 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.45 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.45 |
| ▸ | HTR1A | P08908 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4573103 | 0.84 | ADRB1 (0.58) | ADRB1DRD2DRD3HTR3EHTR3B | |
| SCHEMBL26074538 | 0.84 | ADRB1 (0.65) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL4573317 | 0.81 | HTR1A (0.50) | ADRB1DRD2DRD3HTR3EHTR3B | |
| SCHEMBL1471288 | 0.78 | ADRB1 (0.65) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL4573172 | 0.76 | ADRB1 (0.53) | ADRB1DRD2DRD3HTR3EHTR3B | |
| SCHEMBL4573292 | 0.76 | ADRB1 (0.54) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL4428637 | 0.75 | ADRB1 (0.65) | ADRB1DRD2DRD3HTR3EHTR3B | |
| SCHEMBL2984679 | 0.74 | ADRB1 (0.73) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL232689 | 0.73 | ADRB1 (1.00) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Hydrochloric Acid SCHEMBL2959681 | 0.72 | ADRB1 (0.96) | ADRB1HTR3EHTR3BHTR3AHTR3D |
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-2009001127-A1 | CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS | ASTRAZENECA AB (SE) | 2008-12-31 | — | — | WO | disclosed |