Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.35 |
| ▸ | JAK1 | P23458 | 1/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 4/20 | 0.33 |
| ▸ | CDK2 | P24941 | 4/20 | 0.33 |
| ▸ | HTR1A | P08908 | 6/20 | 0.32 |
| ▸ | HTR7 | P34969 | 6/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.31 |
| ▸ | NAMPT | P43490 | 1/20 | 0.31 |
| ▸ | CCND1 | P24385 | 2/20 | 0.31 |
| ▸ | CDK6 | Q00534 | 2/20 | 0.31 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.30 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.30 |
| ▸ | MTOR | P42345 | 1/20 | 0.30 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.30 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | CCNC | P24863 | 1/20 | 0.30 |
| ▸ | CDK8 | P49336 | 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 | |
|---|---|---|---|---|
| SCHEMBL24309657 | 1.00 | NLRP3 (0.35) | NLRP3JAK1CCNE1CDK2HTR1A | |
| SCHEMBL29567053 | 0.85 | NLRP3 (0.34) | NLRP3JAK1CCNE1CDK2HTR1A | |
| SCHEMBL24309636 | 0.85 | NLRP3 (0.34) | NLRP3JAK1CCNE1CDK2HTR1A | |
| SCHEMBL26807601 | 0.82 | HTR1A (0.40) | NLRP3JAK1HTR1AHTR7DRD2 | |
| SCHEMBL29566698 | 0.79 | HTR1A (0.47) | NLRP3HTR1AHTR7DRD2HTR6 | |
| SCHEMBL24309839 | 0.79 | HTR1A (0.47) | NLRP3HTR1AHTR7DRD2HTR6 | |
| SCHEMBL26807593 | 0.78 | HRH3 (0.37) | JAK1SMN1; SMN2CCNCCDK8 | |
| SCHEMBL26807590 | 0.76 | HRH3 (0.42) | JAK1HTR1AHTR7 | |
| SCHEMBL26807599 | 0.76 | FLT3 (0.34) | JAK1HTR6CCND1CDK6 | |
| SCHEMBL24309349 | 0.69 | PIK3CG (0.42) | NLRP3CCNE1CDK2HTR1AHTR7 |
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 |