Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 10/20 | 0.38 |
| ▸ | CCND1 | P24385 | 6/20 | 0.38 |
| ▸ | CDK2 | P24941 | 3/20 | 0.38 |
| ▸ | CDK1 | P06493 | 2/20 | 0.38 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.38 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.38 |
| ▸ | CCND3 | P30281 | 3/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | GUSB | P08236 | 5/20 | 0.36 |
| ▸ | FLT3 | P36888 | 3/20 | 0.35 |
| ▸ | CDK6 | Q00534 | 2/20 | 0.35 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.35 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.35 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.35 |
| ▸ | CCND2 | P30279 | 1/20 | 0.35 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.34 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.34 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.34 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.34 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL24309695 | 1.00 | CDK4 (0.38) | CDK4CCND1CDK2CDK1CCNB1 | |
| SCHEMBL26810553 | 0.88 | HTR6 (0.36) | HTR6GUSBFLT3RIPK2ACVR1 | |
| SCHEMBL29566429 | 0.86 | RIPK2 (0.37) | CDK4CCND1CDK2CDK1CCNB1 | |
| SCHEMBL24310567 | 0.86 | RIPK2 (0.37) | CDK4CCND1CDK2CDK1CCNB1 | |
| SCHEMBL26807780 | 0.86 | LTA4H (0.47) | CDK2HTR6GUSBFLT3CDK6 | |
| SCHEMBL24309513 | 0.86 | LTA4H (0.41) | HTR6GUSBFLT3RIPK2ACVR1 | |
| SCHEMBL29567157 | 0.86 | LTA4H (0.41) | HTR6GUSBFLT3RIPK2ACVR1 | |
| SCHEMBL26807778 | 0.86 | HTR3E (0.46) | HTR6GUSBRIPK2ACVR1NOD2 | |
| SCHEMBL26807760 | 0.85 | LTA4H (0.48) | HTR6GUSBRIPK2ACVR1NOD2 | |
| SCHEMBL26807484 | 0.85 | HTR1A (0.43) | HTR6FGFR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4225748-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2023-08-16 | — | — | EP | disclosed |
| WO-2022076627-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |