Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 3/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 16/20 | 0.40 |
| ▸ | GUSB | P08236 | 1/20 | 0.39 |
| ▸ | NUAK1 | O60285 | 2/20 | 0.38 |
| ▸ | NUAK2 | Q9H093 | 2/20 | 0.38 |
| ▸ | JAK2 | O60674 | 2/20 | 0.38 |
| ▸ | BLK | P51451 | 2/20 | 0.38 |
| ▸ | BMX | P51813 | 2/20 | 0.38 |
| ▸ | JAK3 | P52333 | 2/20 | 0.38 |
| ▸ | PLK4 | O00444 | 1/20 | 0.36 |
| ▸ | GAK | O14976 | 1/20 | 0.36 |
| ▸ | FLT3 | P36888 | 1/20 | 0.36 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.36 |
| ▸ | BTK | Q06187 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL24309808 | 1.00 | CTSC (0.46) | CTSCHTR1AHTR2AHTR2CHTR7 | |
| SCHEMBL24309367 | 0.91 | CTSC (0.42) | CTSCHTR7EGFRJAK2BLK | |
| SCHEMBL29566620 | 0.91 | CTSC (0.42) | CTSCHTR7EGFRJAK2BLK | |
| SCHEMBL24310675 | 0.88 | HTR1A (0.43) | CTSCHTR1AHTR2AHTR2CHTR7 | |
| SCHEMBL24309842 | 0.86 | CTSC (0.39) | CTSCHTR1AHTR2AHTR2CHTR7 | |
| SCHEMBL29567018 | 0.85 | HTR6 (0.35) | CTSCHTR1AHTR2AHTR2CHTR7 | |
| SCHEMBL26808480 | 0.85 | HTR6 (0.35) | CTSCHTR1AHTR2AHTR2CHTR7 | |
| SCHEMBL29566415 | 0.83 | AURKA (0.37) | EGFR | |
| SCHEMBL24310648 | 0.83 | AURKA (0.37) | EGFR | |
| SCHEMBL24309810 | 0.83 | CTSC (0.47) | CTSCEGFRNUAK1NUAK2JAK2 |
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 |