Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | RXRA | P19793 | 8/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 7/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 7/20 | 0.40 |
| ▸ | CFTR | P13569 | 1/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30038075 | 0.90 | NOTUM (0.46) | NOTUMADORA1HSP90AA1PTGS2PTGS1 | |
| SCHEMBL20162828 | 0.90 | NOTUM (0.46) | NOTUMADORA1HSP90AA1PTGS2PTGS1 | |
| SCHEMBL20182215 | 0.85 | NOTUM (0.48) | NOTUMHSP90AA1PTGS2PTGS1RXRA | |
| SCHEMBL20162882 | 0.81 | NOTUM (0.39) | NOTUMADORA1HSP90AA1RXRAGRIN1 | |
| SCHEMBL20162810 | 0.80 | CFTR (0.49) | NOTUMADORA1HSP90AA1RXRAGRIN1 | |
| SCHEMBL20182201 | 0.77 | NOTUM (0.48) | NOTUMHSP90AA1PTGS2PTGS1RXRA | |
| SCHEMBL20162731 | 0.72 | NOTUM (0.48) | NOTUMHSP90AA1PTGS2PTGS1RXRA | |
| SCHEMBL20173309 | 0.72 | NOTUM (0.48) | NOTUMHSP90AA1PTGS2PTGS1RXRA | |
| SCHEMBL30036886 | 0.72 | NOTUM (0.48) | NOTUMHSP90AA1PTGS2PTGS1RXRA | |
| SCHEMBL20163000 | 0.70 | NOTUM (0.46) | NOTUMHSP90AA1PTGS2PTGS1RXRA |
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 |