Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.38 |
| ▸ | MAPKAPK2 | P49137 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
| ▸ | DHFR | P00374 | 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 | |
|---|---|---|---|---|
| SCHEMBL20977360 | 0.80 | ALDH1A1 (0.33) | MAPKAPK2ALDH1A1CDK2 | |
| SCHEMBL2966822 | 0.77 | ALDH1A1 (0.32) | MAPKAPK2ALDH1A1CDK2 | |
| SCHEMBL24367881 | 0.77 | CDK2 (0.33) | CDK2 | |
| SCHEMBL26127401 | 0.76 | MAPKAPK2 (0.35) | MAPKAPK2ALDH1A1CDK2 | |
| SCHEMBL30588906 | 0.76 | MAPKAPK2 (0.35) | MAPKAPK2ALDH1A1CDK2 | |
| SCHEMBL26122570 | 0.72 | — | — | |
| SCHEMBL18050635 | 0.72 | CDK2 (0.35) | MAPKAPK2ALDH1A1CDK2 | |
| SCHEMBL4424103 | 0.72 | CSNK1A1 (0.46) | MAPKAPK2ALDH1A1CDK2 | |
| SCHEMBL29913169 | 0.71 | ADK (0.48) | ALDH1A1DHFR | |
| SCHEMBL27158029 | 0.71 | ADK (0.48) | ALDH1A1DHFR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023196429-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-10-12 | — | — | WO | disclosed |
| CN-116601158-A | Modulators of cystic fibrosis transmembrane conductance regulator | 弗特克斯药品有限公司 | 2023-08-15 | — | — | CN | disclosed |
| WO-2022076622-A2 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |