Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 18/20 | 0.57 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.46 |
| ▸ | PDE2A | O00408 | 1/20 | 0.46 |
| ▸ | PDE4A | P27815 | 1/20 | 0.46 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.46 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.46 |
| ▸ | PDE1A | P54750 | 1/20 | 0.46 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.46 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.46 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.46 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.46 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.46 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.46 |
| ▸ | TNKS | O95271 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | PARP2 | Q9UGN5 | 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 | |
|---|---|---|---|---|
| SCHEMBL13769952 | 0.99 | CALCRL (0.57) | CALCRLPIK3CDPDE2APDE4APIK3R1 | |
| SCHEMBL4005491 | 0.94 | CALCRL (0.56) | CALCRLPIK3CDPDE2APDE4APIK3R1 | |
| SCHEMBL4005501 | 0.94 | CALCRL (0.56) | CALCRLPIK3CDPDE2APDE4APIK3R1 | |
| SCHEMBL13769977 | 0.94 | CALCRL (0.56) | CALCRLPIK3CDPDE2APDE4APIK3R1 | |
| SCHEMBL4007640 | 0.94 | CALCRL (0.55) | CALCRLPIK3CDPDE2APDE4APIK3R1 | |
| SCHEMBL13769385 | 0.93 | CALCRL (0.56) | CALCRLPIK3CDPDE2APDE4APIK3R1 | |
| SCHEMBL13769554 | 0.92 | CALCRL (0.55) | CALCRLPIK3CDPDE2APDE4APIK3R1 | |
| SCHEMBL13769788 | 0.92 | CALCRL (0.55) | CALCRLPIK3CDPDE2APDE4APIK3R1 | |
| SCHEMBL13769574 | 0.91 | CALCRL (0.54) | CALCRLPIK3CDPDE2APDE4APIK3R1 | |
| SCHEMBL4007937 | 0.91 | CALCRL (0.53) | CALCRLPIK3CDPDE2APDE4APIK3R1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009080682-A1 | PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2009-07-02 | — | — | WO | disclosed |
| WO-2009080682-A1 | PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2009-07-02 | — | — | WO | disclosed |