Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | CALCRL | Q16602 | 12/20 | 0.38 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.33 |
| ▸ | PTPN11 | Q06124 | 5/20 | 0.32 |
| ▸ | RAMP1 | O60894 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.30 |
| ▸ | CNR2 | P34972 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13769777 | 0.95 | KCNH2 (0.40) | KCNH2CALCRLNPY5RPTPN11RAMP1 | |
| SCHEMBL13769789 | 0.95 | KCNH2 (0.39) | KCNH2CALCRLNPY5RRAMP1CNR1 | |
| SCHEMBL13770228 | 0.88 | KCNH2 (0.43) | KCNH2CALCRLNPY5RPTPN11RAMP1 | |
| SCHEMBL13769556 | 0.88 | KCNH2 (0.41) | KCNH2CALCRLNPY5RRAMP1CNR1 | |
| SCHEMBL13769572 | 0.88 | CALCRL (0.43) | KCNH2CALCRLNPY5RRAMP1 | |
| SCHEMBL13769569 | 0.88 | CALCRL (0.41) | KCNH2CALCRLNPY5R | |
| SCHEMBL13769979 | 0.87 | KCNH2 (0.41) | KCNH2CALCRLNPY5RRAMP1 | |
| SCHEMBL13769978 | 0.86 | CALCRL (0.40) | KCNH2CALCRLNPY5RRAMP1 | |
| SCHEMBL13769401 | 0.86 | KCNH2 (0.40) | KCNH2CALCRLNPY5RRAMP1 | |
| SCHEMBL13769710 | 0.86 | KCNH2 (0.40) | KCNH2CALCRLNPY5RRAMP1 |
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 |