Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 2/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.34 |
| ▸ | DHFR | P00374 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | EIF2AK3 | Q9NZJ5 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 2/20 | 0.33 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.33 |
| ▸ | KDR | P35968 | 2/20 | 0.33 |
| ▸ | TYK2 | P29597 | 1/20 | 0.33 |
| ▸ | SYK | P43405 | 1/20 | 0.32 |
| ▸ | RORC | P51449 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL24310102 | 1.00 | BRD4 (0.39) | BRD4PTGDR2NR1H2NR1H3ABL1 | |
| SCHEMBL26810173 | 0.94 | BRD4 (0.38) | BRD4PTGDR2NR1H2NR1H3ABL1 | |
| SCHEMBL24310203 | 0.91 | MEN1 (0.38) | BRD4PTGDR2NR1H2NR1H3NPC1 | |
| SCHEMBL24310099 | 0.90 | BRD4 (0.38) | BRD4EGFRFGFR1KDRSMN1; SMN2 | |
| SCHEMBL29566567 | 0.90 | BRD4 (0.38) | BRD4EGFRFGFR1KDRSMN1; SMN2 | |
| SCHEMBL26810181 | 0.88 | BRD4 (0.39) | BRD4PTGDR2EGFRFGFR1KDR | |
| SCHEMBL24310553 | 0.88 | FGFR1 (0.38) | BRD4EGFRFGFR1KDRHTT | |
| SCHEMBL29566952 | 0.88 | FGFR1 (0.38) | BRD4EGFRFGFR1KDRHTT | |
| SCHEMBL26810160 | 0.88 | BRD4 (0.38) | BRD4EGFRFGFR1KDRSYK | |
| SCHEMBL26810183 | 0.87 | CCR2 (0.37) | BRD4PTGDR2NR1H2NR1H3EGFR |
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 |