Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | PDE5A | O76074 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | PDE1A | P54750 | 1/20 | 0.34 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.34 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
| ▸ | CFTR | P13569 | 3/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20162823 | 0.88 | NOTUM (0.41) | NOTUMPTGS2HSP90AA1TRPV1PARP1 | |
| SCHEMBL20162822 | 0.88 | NOTUM (0.41) | NOTUMPTGS2HSP90AA1TRPV1PARP1 | |
| SCHEMBL20162731 | 0.80 | NOTUM (0.48) | NOTUMPTGS2HSP90AA1TRPV1PARP1 | |
| SCHEMBL30036886 | 0.80 | NOTUM (0.48) | NOTUMPTGS2HSP90AA1TRPV1PARP1 | |
| SCHEMBL20162698 | 0.80 | NOTUM (0.48) | NOTUMPTGS2HSP90AA1TRPV1PARP1 | |
| SCHEMBL30892138 | 0.80 | NOTUM (0.48) | NOTUMPTGS2HSP90AA1TRPV1PARP1 | |
| SCHEMBL20182201 | 0.72 | NOTUM (0.48) | NOTUMPTGS2HSP90AA1TRPV1PARP1 | |
| SCHEMBL20182215 | 0.72 | NOTUM (0.48) | NOTUMPTGS2HSP90AA1TRPV1PARP1 | |
| SCHEMBL20163120 | 0.72 | CFTR (0.44) | NOTUMPTGS2HSP90AA1CFTRAMY1A | |
| SCHEMBL20163119 | 0.72 | CFTR (0.44) | NOTUMPTGS2HSP90AA1CFTRAMY1A |
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-2018094137-A1 | PYRROLOPYRIMIDINES AS CFTR POTENTIATORS | CYSTIC FIBROSIS FOUNDATION THERAPEUTICS INC. (US) | 2018-05-24 | — | — | WO | disclosed |