Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.32 |
| ▸ | DRD2 | P14416 | 4/20 | 0.31 |
| ▸ | HTR7 | P34969 | 2/20 | 0.31 |
| ▸ | HTR6 | P50406 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | JAK2 | O60674 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 2/20 | 0.31 |
| ▸ | HTR1A | P08908 | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL24309593 | 0.90 | KDM4E (0.33) | EGFRDRD2HTR7HTR6MEN1 | |
| SCHEMBL24310457 | 0.88 | BRD4 (0.39) | EGFRBRD4 | |
| SCHEMBL24309801 | 0.88 | DRD2 (0.31) | EGFRDRD2DRD3JAK2HTR2A | |
| SCHEMBL24309467 | 0.88 | EGFR (0.37) | EGFRBRD4 | |
| SCHEMBL24309262 | 0.87 | CDK2 (0.32) | — | |
| SCHEMBL29566615 | 0.84 | HTR6 (0.36) | DRD2HTR7HTR6MEN1LMNA | |
| SCHEMBL26806614 | 0.84 | HTR6 (0.36) | DRD2HTR7HTR6MEN1LMNA | |
| SCHEMBL24309684 | 0.80 | MET (0.34) | EGFRHTR7JAK2HTR2AHTR1A | |
| SCHEMBL24309736 | 0.79 | CDK2 (0.32) | — | |
| SCHEMBL24310509 | 0.79 | CDK2 (0.32) | EGFR |
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 |