Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 7/20 | 0.42 |
| ▸ | HTR7 | P34969 | 7/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 3/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.33 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24309877 | 1.00 | HTR1A (0.42) | HTR1AHTR7SMN1; SMN2HIF1ADRD2 | |
| SCHEMBL24309827 | 0.90 | HTR1A (0.43) | HTR1AHTR7DRD2HTR6THRB | |
| SCHEMBL29566900 | 0.90 | HTR1A (0.43) | HTR1AHTR7DRD2HTR6THRB | |
| SCHEMBL29566814 | 0.89 | HTR1A (0.42) | HTR1AHTR7DRD2HTR6THRB | |
| SCHEMBL24309825 | 0.89 | HTR1A (0.42) | HTR1AHTR7DRD2HTR6THRB | |
| SCHEMBL29567189 | 0.89 | HTR1A (0.42) | HTR1AHTR7SMN1; SMN2HIF1ADRD2 | |
| SCHEMBL24310178 | 0.89 | HTR1A (0.42) | HTR1AHTR7DRD2HTR6THRB | |
| SCHEMBL24309396 | 0.89 | HTR1A (0.42) | HTR1AHTR7SMN1; SMN2HIF1ADRD2 | |
| SCHEMBL29567180 | 0.89 | HTR1A (0.42) | HTR1AHTR7DRD2HTR6THRB | |
| SCHEMBL24310357 | 0.88 | HTR1A (0.41) | HTR1AHTR7DRD2HTR6THRB |
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 |