Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STIM1 | Q13586 | 2/20 | 0.40 |
| ▸ | ORAI1 | Q96D31 | 2/20 | 0.40 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 14/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.36 |
| ▸ | PDE4A | P27815 | 3/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16824163 | 0.92 | STIM1 (0.43) | STIM1ORAI1ORAI2CHRNB2CHRNB4 | |
| SCHEMBL16824144 | 0.86 | STIM1 (0.49) | STIM1ORAI1ORAI2CHRNB2CHRNB4 | |
| SCHEMBL16824161 | 0.84 | STIM1 (0.43) | STIM1ORAI1ORAI2CHRNB2CHRNB4 | |
| SCHEMBL16824162 | 0.82 | STIM1 (0.43) | STIM1ORAI1ORAI2CHRNB2CHRNB4 | |
| SCHEMBL16824142 | 0.82 | STIM1 (0.40) | STIM1ORAI1ORAI2CHRNB2CHRNB4 | |
| SCHEMBL16841314 | 0.82 | STIM1 (0.39) | STIM1ORAI1ORAI2 | |
| SCHEMBL16841308 | 0.81 | STIM1 (0.37) | STIM1ORAI1ORAI2CHRNB2CHRNB4 | |
| SCHEMBL16824167 | 0.81 | STIM1 (0.43) | STIM1ORAI1ORAI2CHRNB2CHRNB4 | |
| SCHEMBL16824165 | 0.81 | STIM1 (0.43) | STIM1ORAI1ORAI2CHRNB2CHRNB4 | |
| SCHEMBL16841418 | 0.81 | PLA2G10 (0.50) | STIM1ORAI1ORAI2CHRNB2CHRNB4 |
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-2015090580-A1 | PYRAZOLYL-BASED CARBOXAMIDES USEFUL AS CALCIUM RELEASE ACTIVATED CALCIUM CHANNEL (ICRAC) INHIBITORS | Grünenthal GmbH (DE) | 2015-06-25 | — | — | WO | disclosed |