Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNA2 | P20248 | 10/20 | 0.40 |
| ▸ | CDK2 | P24941 | 10/20 | 0.40 |
| ▸ | CCNA1 | P78396 | 10/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | CDK4 | P11802 | 5/20 | 0.38 |
| ▸ | CCND3 | P30281 | 5/20 | 0.38 |
| ▸ | GSK3B | P49841 | 5/20 | 0.38 |
| ▸ | PIM1 | P11309 | 4/20 | 0.38 |
| ▸ | BRD4 | O60885 | 2/20 | 0.38 |
| ▸ | MTOR | P42345 | 3/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | CCNK | O75909 | 1/20 | 0.37 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.37 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL24310427 | 0.88 | PLK1 (0.33) | CCNA2CDK2CCNA1KDR | |
| SCHEMBL24309954 | 0.87 | HTR1D (0.36) | SLC2A1 | |
| SCHEMBL24309422 | 0.85 | MAP4K1 (0.33) | CCNA2CDK2CCNA1CDK4CCND3 | |
| SCHEMBL24310284 | 0.85 | MAP4K1 (0.37) | BRD4 | |
| SCHEMBL29567245 | 0.84 | BRD4 (0.42) | CCNA2CDK2CCNA1KDRCDK4 | |
| SCHEMBL26808191 | 0.84 | BRD4 (0.42) | CCNA2CDK2CCNA1KDRCDK4 | |
| SCHEMBL24309238 | 0.83 | MAP4K1 (0.36) | BRD4 | |
| SCHEMBL24310395 | 0.83 | HTR3A (0.39) | PIM1 | |
| SCHEMBL24309350 | 0.81 | HTR3A (0.33) | CDK4CCND3PIM1 | |
| SCHEMBL24310751 | 0.81 | MAP4K1 (0.34) | SLC2A1 |
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 |