Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | JAK2 | O60674 | 2/20 | 0.31 |
| ▸ | JAK3 | P52333 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | CCNK | O75909 | 1/20 | 0.31 |
| ▸ | CCND3 | P30281 | 1/20 | 0.31 |
| ▸ | CDK9 | P50750 | 1/20 | 0.31 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | DRD1 | P21728 | 1/20 | 0.30 |
| ▸ | DRD4 | P21917 | 1/20 | 0.30 |
| ▸ | DRD5 | P21918 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | BRD4 | O60885 | 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 | |
|---|---|---|---|---|
| SCHEMBL24309230 | 0.88 | EGFR (0.32) | DRD2DRD3JAK2EGFRADRA2A | |
| SCHEMBL24309806 | 0.86 | EGFR (0.31) | EGFR | |
| SCHEMBL24310751 | 0.85 | MAP4K1 (0.34) | DRD2DRD3JAK2JAK3EGFR | |
| SCHEMBL24309803 | 0.85 | DRD3 (0.37) | DRD2DRD3JAK2JAK3EGFR | |
| SCHEMBL29567213 | 0.84 | DRD2 (0.41) | DRD2EGFRADRA2ADRD1DRD4 | |
| SCHEMBL24309479 | 0.83 | HTR1A (0.33) | DRD2DRD3EGFRDRD4HTR2A | |
| SCHEMBL24309663 | 0.81 | GPR39 (0.37) | JAK3 | |
| SCHEMBL24309593 | 0.79 | KDM4E (0.33) | DRD2JAK2EGFRCCNKCCND3 | |
| SCHEMBL24309796 | 0.78 | ALK (0.33) | DRD2DRD3EGFRBRD4 | |
| SCHEMBL24309850 | 0.78 | AXL (0.35) | JAK3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022076627-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |