Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.36 |
| ▸ | JAK1 | P23458 | 1/20 | 0.34 |
| ▸ | TTK | P33981 | 1/20 | 0.33 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.33 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 6/20 | 0.33 |
| ▸ | HTR7 | P34969 | 6/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.32 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.32 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.32 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24309687 | 1.00 | CDK1 (0.37) | CDK1CDK2GSK3BNLRP3JAK1 | |
| SCHEMBL26807922 | 1.00 | CDK1 (0.37) | CDK1CDK2GSK3BNLRP3JAK1 | |
| SCHEMBL26810530 | 0.88 | CDK2 (0.35) | CDK1CDK2GSK3BNLRP3JAK1 | |
| SCHEMBL26807611 | 0.86 | CDK2 (0.34) | CDK1CDK2GSK3BNLRP3JAK1 | |
| SCHEMBL26807354 | 0.85 | HTR1A (0.42) | NLRP3JAK1HTR1AHTR7DRD2 | |
| SCHEMBL29566649 | 0.85 | HTR1A (0.42) | NLRP3JAK1HTR1AHTR7DRD2 | |
| SCHEMBL26807484 | 0.84 | HTR1A (0.43) | NLRP3JAK1HTR1AHTR7DRD2 | |
| SCHEMBL24309306 | 0.83 | NLRP3 (0.38) | CDK1CDK2NLRP3JAK1TLR8 | |
| SCHEMBL29566960 | 0.83 | HTR1A (0.39) | NLRP3JAK1HTR1AHTR7DRD2 | |
| SCHEMBL24309834 | 0.83 | HTR1A (0.39) | NLRP3JAK1HTR1AHTR7DRD2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4225748-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2023-08-16 | — | — | EP | disclosed |
| WO-2022076627-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |