Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.43 |
| ▸ | HTR1B | P28222 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | GPR65 | Q8IYL9 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.37 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.36 |
| ▸ | FEN1 | P39748 | 1/20 | 0.36 |
| ▸ | ATR | Q13535 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29566525 | 0.77 | HSP90AA1 (0.64) | DHFRHTR1BHTR2BGPR65HSP90AA1 | |
| SCHEMBL3946692 | 0.77 | HSP90AA1 (0.64) | DHFRHTR1BHTR2BGPR65HSP90AA1 | |
| SCHEMBL29567149 | 0.75 | HSP90AA1 (0.62) | DHFRHTR1BHTR2BGPR65HSP90AA1 | |
| SCHEMBL24309341 | 0.74 | DHFR (0.45) | DHFRHTR1BHTR2BGPR65HSP90AA1 | |
| SCHEMBL29567313 | 0.74 | DHFR (0.45) | DHFRHTR1BHTR2BGPR65HSP90AA1 | |
| SCHEMBL29567282 | 0.72 | DHFR (0.46) | DHFRHTR1BHTR2BGPR65HSP90AA1 | |
| SCHEMBL24309820 | 0.72 | DHFR (0.46) | DHFRHTR1BHTR2BGPR65HSP90AA1 | |
| SCHEMBL7144371 | 0.71 | MAPT (0.44) | MAPTADORA2AADORA1ALDH1A1 | |
| SCHEMBL24310657 | 0.69 | AXL (0.31) | TRPA1 | |
| SCHEMBL3392494 | 0.69 | ATR (0.48) | DHFRHTR1BHTR2BGPR65HSP90AA1 |
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 |