Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 7/20 | 0.37 |
| ▸ | BRD4 | O60885 | 2/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | JAK3 | P52333 | 1/20 | 0.35 |
| ▸ | BTK | Q06187 | 1/20 | 0.35 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.35 |
| ▸ | GUSB | P08236 | 3/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.35 |
| ▸ | EGFR | P00533 | 2/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
| ▸ | RAD52 | P43351 | 1/20 | 0.34 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.34 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.34 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL24310372 | 1.00 | HTR6 (0.37) | HTR6BRD4LCKJAK3BTK | |
| SCHEMBL26808278 | 0.93 | EGFR (0.38) | HTR6LCKGUSBEGFR | |
| SCHEMBL29566922 | 0.93 | EGFR (0.38) | HTR6LCKGUSBEGFR | |
| SCHEMBL26858387 | 0.90 | GUSB (0.42) | HTR6GUSB | |
| SCHEMBL24310583 | 0.90 | RIPK2 (0.38) | HTR6BRD4LCKJAK3BTK | |
| SCHEMBL26809994 | 0.88 | GUSB (0.36) | HTR6BRD4LCKJAK3BTK | |
| SCHEMBL24309574 | 0.85 | BRD4 (0.41) | HTR6BRD4EGFR | |
| SCHEMBL29567022 | 0.85 | BRD4 (0.41) | HTR6BRD4EGFR | |
| SCHEMBL29566284 | 0.84 | HTR3E (0.39) | HTR6GUSBSRCACVR1 | |
| SCHEMBL26808265 | 0.84 | HTR3E (0.39) | HTR6GUSBSRCACVR1 |
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 |