Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 3/20 | 0.35 |
| ▸ | HTR7 | P34969 | 3/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 2/20 | 0.33 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.33 |
| ▸ | KDR | P35968 | 2/20 | 0.33 |
| ▸ | BRAF | P15056 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | PIK3CG | P48736 | 3/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.33 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | PCK1 | P35558 | 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 | |
|---|---|---|---|---|
| SCHEMBL29566874 | 0.94 | HTR1A (0.39) | HTR1AHTR7PTGS2PTGS1EGFR | |
| SCHEMBL24309502 | 0.89 | HTR1A (0.35) | HTR1AHTR7PTGS2PTGS1BRAF | |
| SCHEMBL24310083 | 0.86 | HTR1A (0.39) | HTR1AHTR7PTGS2PTGS1BRAF | |
| SCHEMBL24309608 | 0.82 | HTR1A (0.36) | HTR1AHTR7PTGS2PTGS1BRAF | |
| SCHEMBL24309547 | 0.80 | HTR1A (0.37) | HTR1AHTR7BRAFBRD4PIK3CG | |
| SCHEMBL29566455 | 0.80 | HTR1A (0.37) | HTR1AHTR7BRAFBRD4PIK3CG | |
| SCHEMBL24310673 | 0.80 | HTR1A (0.40) | HTR1AHTR7PTGS2PTGS1BRAF | |
| SCHEMBL24309875 | 0.79 | HTR1A (0.39) | HTR1AHTR7EGFRFGFR1KDR | |
| SCHEMBL29566963 | 0.79 | RAD52 (0.36) | HTR1AHTR7BRD4KDM4EJAK1 | |
| SCHEMBL24309497 | 0.79 | HTR1A (0.40) | HTR1AHTR7PTGS2PTGS1EGFR |
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 |