Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 19/20 | 0.58 |
| ▸ | TNKS | O95271 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | PARP2 | Q9UGN5 | 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 | |
|---|---|---|---|---|
| SCHEMBL4007941 | 0.93 | CALCRL (0.60) | CALCRLTNKSPARP1PARP2 | |
| SCHEMBL13770230 | 0.91 | CALCRL (0.58) | CALCRL | |
| SCHEMBL13770231 | 0.90 | CALCRL (0.57) | CALCRL | |
| SCHEMBL13769990 | 0.90 | CALCRL (0.57) | CALCRL | |
| SCHEMBL13770229 | 0.90 | CALCRL (0.56) | CALCRL | |
| SCHEMBL13769779 | 0.89 | CALCRL (0.56) | CALCRL | |
| SCHEMBL4012312 | 0.89 | CALCRL (0.56) | CALCRL | |
| SCHEMBL13769716 | 0.89 | CALCRL (0.56) | CALCRL | |
| SCHEMBL13769717 | 0.88 | CALCRL (0.55) | CALCRL | |
| SCHEMBL13769988 | 0.87 | CALCRL (0.54) | CALCRL |
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 |