Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 19/20 | 0.52 |
| ▸ | TNKS | O95271 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13769971 | 0.90 | CALCRL (0.52) | CALCRLTNKSPARP1PARP2 | |
| SCHEMBL13769394 | 0.87 | CALCRL (0.53) | CALCRLTNKSPARP1PARP2 | |
| SCHEMBL4003427 | 0.87 | CALCRL (0.57) | CALCRLTNKSPARP1PARP2 | |
| SCHEMBL13770223 | 0.87 | CALCRL (0.54) | CALCRLTNKSPARP1PARP2 | |
| SCHEMBL4008402 | 0.86 | CALCRL (0.56) | CALCRLTNKSPARP1PARP2 | |
| SCHEMBL4006748 | 0.86 | CALCRL (0.56) | CALCRLTNKSPARP1PARP2 | |
| SCHEMBL4005494 | 0.85 | CALCRL (0.55) | CALCRL | |
| SCHEMBL13769716 | 0.85 | CALCRL (0.56) | CALCRL | |
| SCHEMBL13769702 | 0.85 | CALCRL (0.55) | CALCRLTNKSPARP1PARP2 | |
| SCHEMBL4010493 | 0.84 | CALCRL (0.56) | CALCRLTNKSPARP1PARP2 |
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-2009080682-A1 | PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2009-07-02 | — | — | WO | disclosed |