Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | BTN3A1 | O00481 | 6/20 | 0.39 |
| ▸ | DCK | P27707 | 1/20 | 0.31 |
| ▸ | ALB | P02768 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19987372 | 0.89 | CYP3A4 (0.44) | CYP3A4CYP2C9BTN3A1 | |
| SCHEMBL19987177 | 0.86 | CYP3A4 (0.45) | CYP3A4CYP2C9BTN3A1DCKALB | |
| SCHEMBL16998121 | 0.83 | CYP3A4 (0.43) | CYP3A4CYP2C9BTN3A1DCK | |
| SCHEMBL16997748 | 0.82 | CYP3A4 (0.44) | CYP3A4CYP2C9BTN3A1DCK | |
| SCHEMBL16997879 | 0.82 | CYP3A4 (0.44) | CYP3A4CYP2C9BTN3A1DCK | |
| SCHEMBL23491950 | 0.82 | CYP3A4 (0.45) | CYP3A4CYP2C9BTN3A1DCK | |
| SCHEMBL30997044 | 0.82 | CYP3A4 (0.45) | CYP3A4CYP2C9BTN3A1DCK | |
| SCHEMBL30997037 | 0.82 | CYP3A4 (0.45) | CYP3A4CYP2C9BTN3A1DCK | |
| SCHEMBL30997053 | 0.82 | CYP3A4 (0.45) | CYP3A4CYP2C9BTN3A1DCK | |
| SCHEMBL30997039 | 0.82 | CYP3A4 (0.45) | CYP3A4CYP2C9BTN3A1DCK |
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-2018049535-A1 | NUCLEOSIDE ANALOGUES AND METHODS OF USE THEREOF | LCB PHARMA INC. (CA) | 2018-03-22 | — | — | WO | disclosed |