Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 11/20 | 0.38 |
| ▸ | HTR7 | P34969 | 11/20 | 0.38 |
| ▸ | DRD2 | P14416 | 5/20 | 0.38 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 4/20 | 0.33 |
| ▸ | PCK1 | P35558 | 1/20 | 0.32 |
| ▸ | NMT1 | P30419 | 1/20 | 0.32 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.30 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.30 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL24310452 | 1.00 | HTR1A (0.38) | HTR1AHTR7DRD2HTR6HTR2A | |
| SCHEMBL24309426 | 0.90 | HTR1A (0.42) | HTR1AHTR7DRD2HTR6HTR2A | |
| SCHEMBL29567023 | 0.86 | HTR1A (0.35) | HTR1AHTR7DRD2HTR6PCK1 | |
| SCHEMBL24310132 | 0.86 | HTR1A (0.35) | HTR1AHTR7DRD2HTR6PCK1 | |
| SCHEMBL29567792 | 0.85 | HTR1A (0.39) | HTR1AHTR7DRD2HTR6HTR2A | |
| SCHEMBL24310759 | 0.85 | HTR1A (0.39) | HTR1AHTR7DRD2HTR6HTR2A | |
| SCHEMBL29566951 | 0.85 | HTR1A (0.34) | HTR1AHTR7DRD2HTR6PCK1 | |
| SCHEMBL24310440 | 0.85 | HTR1A (0.34) | HTR1AHTR7DRD2HTR6PCK1 | |
| SCHEMBL24310453 | 0.83 | — | — | |
| SCHEMBL24309427 | 0.82 | HTR1A (0.40) | 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 |