Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL8459059 | 0.73 | CYP3A4 (0.31) | CYP3A4CYP2D6 | |
| SCHEMBL8459836 | 0.64 | CYP3A4 (0.31) | CYP3A4CYP2D6 | |
| SCHEMBL8458450 | 0.64 | EBP (0.32) | CYP3A4CYP2D6 | |
| SCHEMBL8458386 | 0.60 | — | — | |
| Glycerin SCHEMBL27483108 | 0.54 | KCNN4 (0.46) | CYP2D6 | |
| SCHEMBL28330389 | 0.53 | CYP2D6 (0.38) | CYP3A4CYP2D6 | |
| SCHEMBL10346496 | 0.53 | CYP2D6 (0.65) | CYP3A4CYP2D6 | |
| SCHEMBL9068006 | 0.53 | KIF11 (0.35) | CYP2D6 | |
| SCHEMBL28467487 | 0.52 | CYP2D6 (0.44) | CYP3A4CYP2D6 | |
| Anisole SCHEMBL28149087 | 0.52 | CA4 (0.61) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5886177-A | ETHYLENE GLYCOL MONOMERS JOINED VIA STANDARD PHOSPHATE LINKAGES INCLUDING PHOSPHOROTHIOATE, PHOSPHODIESTER, AND PHOSPHORAMIDATE LINKAGES; USEFUL FUNCTIONAL GROUPS INCLUDE NUCLEOBASES AS WELL AS POLAR GROUPS, HYDROPHOBIC GROUPS | ISIS PHARMACEUTICALS, INC. (US) | 1999-03-23 | — | — | US | disclosed |