Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 14/20 | 0.38 |
| ▸ | HTR7 | P34969 | 14/20 | 0.38 |
| ▸ | DRD2 | P14416 | 3/20 | 0.37 |
| ▸ | HTR6 | P50406 | 3/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | CDK9 | P50750 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.32 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.32 |
| ▸ | EIF2AK3 | Q9NZJ5 | 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 | |
|---|---|---|---|---|
| SCHEMBL24309259 | 1.00 | HTR1A (0.38) | HTR1AHTR7DRD2HTR6ADRA1D | |
| SCHEMBL29566648 | 0.88 | EGFR (0.36) | HTR1AHTR7DRD2HTR6ADRA1D | |
| SCHEMBL26806685 | 0.88 | HTR1A (0.34) | HTR1AHTR7DRD2HTR6ADRA1D | |
| SCHEMBL26806663 | 0.88 | EGFR (0.38) | HTR1AHTR7DRD2HTR6ADRA1D | |
| SCHEMBL24310487 | 0.88 | EGFR (0.36) | HTR1AHTR7DRD2HTR6ADRA1D | |
| SCHEMBL29566631 | 0.88 | EGFR (0.38) | HTR1AHTR7DRD2HTR6ADRA1D | |
| SCHEMBL29567015 | 0.88 | HTR1A (0.34) | HTR1AHTR7DRD2HTR6ADRA1D | |
| SCHEMBL29567147 | 0.88 | HTR1A (0.34) | HTR1AHTR7DRD2HTR6ADRA1D | |
| SCHEMBL29566615 | 0.87 | HTR6 (0.36) | HTR1AHTR7DRD2HTR6HTR2A | |
| SCHEMBL26806614 | 0.87 | HTR6 (0.36) | HTR1AHTR7DRD2HTR6HTR2A |
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 |