Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 4/20 | 0.34 |
| ▸ | HTR7 | P34969 | 4/20 | 0.34 |
| ▸ | EGFR | P00533 | 2/20 | 0.32 |
| ▸ | MET | P08581 | 2/20 | 0.32 |
| ▸ | INSR | P06213 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.32 |
| ▸ | BRAF | P15056 | 1/20 | 0.32 |
| ▸ | TACR1 | P25103 | 2/20 | 0.32 |
| ▸ | HTR6 | P50406 | 4/20 | 0.31 |
| ▸ | BRD4 | O60885 | 3/20 | 0.31 |
| ▸ | JAK1 | P23458 | 1/20 | 0.31 |
| ▸ | JAK3 | P52333 | 1/20 | 0.31 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.31 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL24310520 | 1.00 | HTR1A (0.34) | HTR1AHTR7EGFRMETINSR | |
| SCHEMBL26811673 | 0.92 | HTR1A (0.33) | HTR1AHTR7EGFRMETINSR | |
| SCHEMBL24310107 | 0.88 | HTR1A (0.36) | HTR1AHTR7EGFRMETINSR | |
| SCHEMBL29567201 | 0.88 | AXL (0.33) | HTR1AHTR7EGFRMETINSR | |
| SCHEMBL29566869 | 0.88 | HTR1A (0.36) | HTR1AHTR7EGFRMETINSR | |
| SCHEMBL24310787 | 0.88 | AXL (0.33) | HTR1AHTR7EGFRMETINSR | |
| SCHEMBL24310083 | 0.87 | HTR1A (0.39) | HTR1AHTR7SCN9ABRAFHTR6 | |
| SCHEMBL29566574 | 0.87 | HTR1A (0.34) | HTR1AHTR7EGFRSCN9ABRAF | |
| SCHEMBL26808972 | 0.87 | HTR1A (0.34) | HTR1AHTR7EGFRSCN9ABRAF | |
| SCHEMBL24310497 | 0.87 | RAD52 (0.36) | EGFRMETINSRBRD4JAK3 |
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 |