Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.31 |
| ▸ | CDK4 | P11802 | 2/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | PDE2A | O00408 | 1/20 | 0.30 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.30 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
| ▸ | CCND1 | P24385 | 1/20 | 0.30 |
| ▸ | CCND2 | P30279 | 1/20 | 0.30 |
| ▸ | CCND3 | P30281 | 1/20 | 0.30 |
| ▸ | KDM1A | O60341 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29567002 | 0.86 | HTR2C (0.34) | BRD4 | |
| SCHEMBL29567004 | 0.86 | HTR2C (0.34) | BRD4 | |
| SCHEMBL26807206 | 0.86 | HTR2C (0.34) | BRD4 | |
| SCHEMBL24310508 | 0.86 | HTR2C (0.34) | BRD4 | |
| SCHEMBL24310306 | 0.85 | CDK4 (0.34) | MAP4K1CDK4CDK2GSK3BBRD4 | |
| SCHEMBL24309807 | 0.85 | CDK4 (0.33) | MAP4K1CDK4CDK2GSK3BPDE2A | |
| SCHEMBL24310517 | 0.83 | CDK4 (0.33) | MAP4K1CDK4CDK2GSK3BBRD4 | |
| SCHEMBL24310329 | 0.82 | MET (0.32) | MAP4K1CDK4CDK2GSK3BKDM1A | |
| SCHEMBL24310325 | 0.82 | MAP4K1 (0.32) | MAP4K1CDK4CDK2GSK3BKDM1A | |
| SCHEMBL24310318 | 0.81 | MAP4K1 (0.42) | MAP4K1KDM1A |
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 |