Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 10/20 | 0.64 |
| ▸ | HSP90AB1 | P08238 | 9/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | DHFR | P00374 | 1/20 | 0.47 |
| ▸ | CDC7 | O00311 | 1/20 | 0.44 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.44 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.44 |
| ▸ | PAK4 | O96013 | 1/20 | 0.44 |
| ▸ | PIM1 | P11309 | 1/20 | 0.44 |
| ▸ | PRKACA | P17612 | 1/20 | 0.44 |
| ▸ | GRK5 | P34947 | 1/20 | 0.44 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.44 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.44 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.44 |
| ▸ | CDK8 | P49336 | 1/20 | 0.44 |
| ▸ | CLK2 | P49760 | 1/20 | 0.44 |
| ▸ | GSK3A | P49840 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | CDK7 | P50613 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3946692 | 1.00 | HSP90AA1 (0.64) | HSP90AA1HSP90AB1KDM4EDHFRCDC7 | |
| SCHEMBL29567149 | 0.98 | HSP90AA1 (0.62) | HSP90AA1HSP90AB1KDM4EDHFRCDC7 | |
| SCHEMBL24309341 | 0.79 | DHFR (0.45) | HSP90AA1HSP90AB1DHFRHTR1BHTR2B | |
| SCHEMBL29567313 | 0.79 | DHFR (0.45) | HSP90AA1HSP90AB1DHFRHTR1BHTR2B | |
| SCHEMBL29600361 | 0.79 | HSP90AA1 (0.55) | HSP90AA1HSP90AB1KDM4EDHFRADCY10 | |
| SCHEMBL24323700 | 0.79 | HSP90AA1 (0.55) | HSP90AA1HSP90AB1KDM4EDHFRADCY10 | |
| SCHEMBL29571104 | 0.79 | HSP90AA1 (0.70) | HSP90AA1HSP90AB1KDM4EDHFRCDC7 | |
| SCHEMBL3952089 | 0.79 | HSP90AA1 (0.70) | HSP90AA1HSP90AB1KDM4EDHFRCDC7 | |
| SCHEMBL3950560 | 0.78 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1KDM4ECDC7DAPK3 | |
| SCHEMBL24310645 | 0.77 | DHFR (0.43) | HSP90AA1HSP90AB1DHFRHTR1BHTR2B |
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 |