Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 5/20 | 0.34 |
| ▸ | HTR7 | P34969 | 4/20 | 0.34 |
| ▸ | HTR6 | P50406 | 7/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | DRD2 | P14416 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | BRAF | P15056 | 1/20 | 0.32 |
| ▸ | APAF1 | O14727 | 1/20 | 0.32 |
| ▸ | MITF | O75030 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | DRD4 | P21917 | 1/20 | 0.32 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | ADRA1B | P35368 | 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 | |
|---|---|---|---|---|
| SCHEMBL26808972 | 1.00 | HTR1A (0.34) | HTR1AHTR7HTR6MAPTKMT2A | |
| SCHEMBL29566949 | 0.87 | HTR1A (0.34) | HTR1AHTR7HTR6MAPTKMT2A | |
| SCHEMBL29567870 | 0.87 | HTR1A (0.37) | HTR1AHTR7HTR6DRD2BRD4 | |
| SCHEMBL24310731 | 0.87 | HTR1A (0.37) | HTR1AHTR7HTR6DRD2BRD4 | |
| SCHEMBL24310520 | 0.87 | HTR1A (0.34) | HTR1AHTR7HTR6MAPTKMT2A | |
| SCHEMBL29567239 | 0.87 | RAD52 (0.39) | HTR1AHTR7HTR6MAPTALDH1A1 | |
| SCHEMBL24309717 | 0.87 | RAD52 (0.39) | HTR1AHTR7HTR6MAPTALDH1A1 | |
| SCHEMBL24310708 | 0.85 | HTR1A (0.35) | HTR1AHTR7HTR6MAPTKMT2A | |
| SCHEMBL29566915 | 0.85 | HTR1A (0.35) | HTR1AHTR7HTR6MAPTKMT2A | |
| SCHEMBL24310722 | 0.84 | AXL (0.30) | — |
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 |