Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | POLA1 | P09884 | 2/20 | 0.40 |
| ▸ | BTN3A1 | O00481 | 6/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.34 |
| ▸ | ST6GAL1 | P15907 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19987278 | 0.95 | CYP3A4 (0.53) | CYP3A4CYP2C9POLA1BTN3A1PDE4D | |
| SCHEMBL19987249 | 0.86 | CYP3A4 (0.55) | CYP3A4CYP2C9POLA1BTN3A1PDE4D | |
| SCHEMBL21511242 | 0.86 | CYP3A4 (0.55) | CYP3A4CYP2C9POLA1BTN3A1PDE4D | |
| SCHEMBL19987208 | 0.85 | CYP3A4 (0.49) | CYP3A4CYP2C9POLA1BTN3A1ST6GAL1 | |
| SCHEMBL19987289 | 0.85 | CYP3A4 (0.49) | CYP3A4CYP2C9POLA1BTN3A1ST6GAL1 | |
| SCHEMBL19987274 | 0.85 | CYP3A4 (0.49) | CYP3A4CYP2C9BTN3A1 | |
| SCHEMBL22995177 | 0.83 | CYP3A4 (0.75) | CYP3A4CYP2C9POLA1BTN3A1PDE4D | |
| SCHEMBL21215315 | 0.83 | CYP3A4 (0.75) | CYP3A4CYP2C9POLA1BTN3A1PDE4D | |
| SCHEMBL15726998 | 0.83 | CYP3A4 (0.75) | CYP3A4CYP2C9POLA1BTN3A1PDE4D | |
| SCHEMBL21215291 | 0.83 | CYP3A4 (0.75) | CYP3A4CYP2C9POLA1BTN3A1PDE4D |
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 |