Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 3/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 5/20 | 0.32 |
| ▸ | FGFR4 | P22455 | 2/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | CDK4 | P11802 | 1/20 | 0.32 |
| ▸ | CCND1 | P24385 | 1/20 | 0.32 |
| ▸ | CCND2 | P30279 | 1/20 | 0.32 |
| ▸ | CCND3 | P30281 | 1/20 | 0.32 |
| ▸ | RORC | P51449 | 2/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | AXL | P30530 | 1/20 | 0.32 |
| ▸ | MERTK | Q12866 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL26808497 | 1.00 | CTSC (0.34) | CTSCHTR2CHTR6PTK2HTR7 | |
| SCHEMBL26808500 | 0.94 | DAPK1 (0.36) | BRD4RORCJAK2ALDH1A1GAA | |
| SCHEMBL29566808 | 0.94 | DAPK1 (0.36) | BRD4RORCJAK2ALDH1A1GAA | |
| SCHEMBL26808528 | 0.93 | EGFR (0.38) | HTR6PTK2BRD4EGFRCDK4 | |
| SCHEMBL26808531 | 0.91 | RORC (0.34) | HTR6HTR7RORCALDH1A1GAA | |
| SCHEMBL24310647 | 0.89 | HTR1A (0.33) | HTR7EGFRALDH1A1HTR1A | |
| SCHEMBL29568105 | 0.89 | PTK2 (0.34) | HTR6PTK2HTR7JAK2HTR1A | |
| SCHEMBL24309837 | 0.89 | PTK2 (0.34) | HTR6PTK2HTR7JAK2HTR1A | |
| SCHEMBL24310387 | 0.87 | CTSC (0.35) | CTSCPTK2CDK4CCND1CCND2 | |
| SCHEMBL26808526 | 0.84 | HTR1A (0.36) | HTR6HTR7HTR2AHTR1A |
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 |