Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 2/20 | 0.34 |
| ▸ | CCND1 | P24385 | 1/20 | 0.34 |
| ▸ | CCND2 | P30279 | 1/20 | 0.34 |
| ▸ | CCND3 | P30281 | 1/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.33 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 3/20 | 0.32 |
| ▸ | MET | P08581 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | HTR6 | P50406 | 1/20 | 0.31 |
| ▸ | GCGR | P47871 | 1/20 | 0.31 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.31 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.31 |
| ▸ | MAPK7 | Q13164 | 1/20 | 0.31 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.31 |
| ▸ | MELK | Q14680 | 1/20 | 0.31 |
| ▸ | RORC | P51449 | 2/20 | 0.31 |
| ▸ | ITK | Q08881 | 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 | |
|---|---|---|---|---|
| SCHEMBL24310517 | 0.96 | CDK4 (0.33) | CDK4CCND1CCND2CCND3HRH4 | |
| SCHEMBL24309807 | 0.90 | CDK4 (0.33) | CDK4MAP4K1CDK2GSK3BBRD4 | |
| SCHEMBL24310329 | 0.89 | MET (0.32) | CDK4MAP4K1CDK2GSK3BMET | |
| SCHEMBL24310560 | 0.86 | IRAK4 (0.34) | CDK4CCND1CCND2CCND3MAP4K1 | |
| SCHEMBL29566750 | 0.86 | HTR2C (0.38) | CDK4CCND1CCND2CCND3BRD4 | |
| SCHEMBL24310305 | 0.86 | HTR2C (0.38) | CDK4CCND1CCND2CCND3BRD4 | |
| SCHEMBL24310522 | 0.85 | MAP4K1 (0.31) | CDK4CCND1CCND2CCND3MAP4K1 | |
| SCHEMBL24310318 | 0.84 | MAP4K1 (0.42) | HRH4MAP4K1ALKMELK | |
| SCHEMBL24310325 | 0.83 | MAP4K1 (0.32) | CDK4MAP4K1CDK2GSK3BMET | |
| SCHEMBL24310387 | 0.82 | CTSC (0.35) | CDK4CCND1CCND2CCND3HRH4 |
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 |