Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 3/20 | 0.37 |
| ▸ | BRD4 | O60885 | 7/20 | 0.36 |
| ▸ | CDK9 | P50750 | 3/20 | 0.35 |
| ▸ | CDK6 | Q00534 | 3/20 | 0.35 |
| ▸ | CCNK | O75909 | 2/20 | 0.35 |
| ▸ | CCND3 | P30281 | 2/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.33 |
| ▸ | ALK | Q9UM73 | 3/20 | 0.32 |
| ▸ | INSR | P06213 | 1/20 | 0.32 |
| ▸ | IGF1R | P08069 | 1/20 | 0.32 |
| ▸ | BRD2 | P25440 | 1/20 | 0.32 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.32 |
| ▸ | SUV39H2 | Q9H5I1 | 1/20 | 0.32 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.31 |
| ▸ | CDK4 | P11802 | 1/20 | 0.31 |
| ▸ | CCND1 | P24385 | 1/20 | 0.31 |
| ▸ | CDK11A | Q9UQ88 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24310457 | 0.94 | BRD4 (0.39) | EGFRBRD4CDK9CDK6CCNK | |
| SCHEMBL24309593 | 0.90 | KDM4E (0.33) | EGFRBRD4CDK9CDK6CCNK | |
| SCHEMBL24309230 | 0.88 | EGFR (0.32) | EGFRBRD4 | |
| SCHEMBL29567849 | 0.84 | HTR6 (0.39) | EGFRBRD4CDK9CDK6CCNK | |
| SCHEMBL24309465 | 0.84 | HTR6 (0.39) | EGFRBRD4CDK9CDK6CCNK | |
| SCHEMBL24309684 | 0.83 | MET (0.34) | EGFRADRA2C | |
| SCHEMBL24309262 | 0.83 | CDK2 (0.32) | CDK9 | |
| SCHEMBL24310509 | 0.80 | CDK2 (0.32) | EGFRCDK9 | |
| SCHEMBL24309736 | 0.79 | CDK2 (0.32) | CDK9CDK4CCND1 | |
| SCHEMBL24310456 | 0.79 | HTR1A (0.39) | EGFRBRD4CDK9CDK6CCNT1 |
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 |