Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 15/20 | 0.42 |
| ▸ | DRD3 | P35462 | 4/20 | 0.39 |
| ▸ | DRD2 | P14416 | 4/20 | 0.39 |
| ▸ | HTR1A | P08908 | 4/20 | 0.39 |
| ▸ | HTR2A | P28223 | 3/20 | 0.39 |
| ▸ | HTR2C | P28335 | 2/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | HTR1D | P28221 | 1/20 | 0.37 |
| ▸ | HTR1B | P28222 | 1/20 | 0.37 |
| ▸ | HTR1E | P28566 | 1/20 | 0.37 |
| ▸ | HTR1F | P30939 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL26809792 | 0.89 | HTR6 (0.37) | HTR6DRD3DRD2HTR1AHTR2A | |
| SCHEMBL29567125 | 0.89 | HTR6 (0.37) | HTR6DRD3DRD2HTR1AHTR2A | |
| SCHEMBL24309255 | 0.88 | DRD2 (0.36) | HTR6DRD2HTR1AHTR2ADRD4 | |
| SCHEMBL29566539 | 0.88 | DRD2 (0.36) | HTR6DRD2HTR1AHTR2ADRD4 | |
| SCHEMBL29567213 | 0.86 | DRD2 (0.41) | HTR6DRD2HTR1AHTR2AHTR2C | |
| SCHEMBL26807398 | 0.85 | HTR6 (0.35) | HTR6DRD3DRD2HTR1AHTR2A | |
| SCHEMBL24309483 | 0.84 | HTR1A (0.41) | HTR6DRD3DRD2HTR1AHTR2A | |
| SCHEMBL29566556 | 0.84 | HTR1A (0.41) | HTR6DRD3DRD2HTR1AHTR2A | |
| SCHEMBL29566863 | 0.84 | HTR1A (0.37) | HTR6DRD2HTR1AHTR2ADRD4 | |
| SCHEMBL26807391 | 0.84 | HTR1A (0.37) | HTR6DRD2HTR1AHTR2ADRD4 |
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 |