Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 9/20 | 0.58 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | HTR7 | P34969 | 3/20 | 0.43 |
| ▸ | HTR3E | A5X5Y0 | 5/20 | 0.42 |
| ▸ | HTR3B | O95264 | 5/20 | 0.42 |
| ▸ | HTR3A | P46098 | 5/20 | 0.42 |
| ▸ | HTR3D | Q70Z44 | 5/20 | 0.42 |
| ▸ | HTR3C | Q8WXA8 | 5/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.42 |
| ▸ | HTR5A | P47898 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 3/20 | 0.42 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.40 |
| ▸ | HTR1D | P28221 | 2/20 | 0.40 |
| ▸ | HTR1B | P28222 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL4573471 | 0.84 | ADRB1 (0.56) | ADRB1DRD2DRD3HTR7HTR3E | |
| SCHEMBL14008974 | 0.83 | ADRB1 (0.67) | ADRB1HTR7HTR3EHTR3BHTR3A | |
| SCHEMBL4573317 | 0.82 | HTR1A (0.50) | ADRB1DRD2DRD3HTR7HTR3E | |
| SCHEMBL4573172 | 0.77 | ADRB1 (0.53) | ADRB1DRD2DRD3HTR3EHTR3B | |
| SCHEMBL24990170 | 0.76 | ADRB1 (0.65) | ADRB1DRD2DRD3HTR7HTR3E | |
| SCHEMBL4573342 | 0.75 | ADRB1 (0.55) | ADRB1HTR7HTR3EHTR3BHTR3A | |
| SCHEMBL221254 | 0.74 | ADRB1 (1.00) | ADRB1HTR7HTR3EHTR3BHTR3A | |
| SCHEMBL19579561 | 0.74 | ADRB1 (0.67) | ADRB1HTR7HTR3EHTR3BHTR3A | |
| SCHEMBL11627069 | 0.73 | ADRB1 (0.65) | ADRB1HTR7HTR3EHTR3BHTR3A | |
| SCHEMBL20171856 | 0.70 | ADRB1 (0.71) | ADRB1DRD2DRD3HTR7HTR3E |
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 |