Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.38 |
| ▸ | NT5E | P21589 | 8/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19987270 | 0.90 | NT5E (0.45) | NT5E | |
| SCHEMBL19987254 | 0.88 | NT5E (0.40) | CYP3A4CYP2C9ADORA3ADORA2BADORA1 | |
| SCHEMBL19987290 | 0.84 | CYP3A4 (0.42) | CYP3A4CYP2C9NT5E | |
| SCHEMBL19987193 | 0.84 | CYP3A4 (0.42) | CYP3A4CYP2C9NT5E | |
| SCHEMBL19987348 | 0.84 | NT5E (0.47) | NT5E | |
| SCHEMBL19987204 | 0.84 | NT5E (0.47) | NT5E | |
| SCHEMBL19987199 | 0.83 | NT5E (0.42) | CYP3A4CYP2C9NT5E | |
| SCHEMBL21511158 | 0.82 | NT5E (0.40) | CYP3A4CYP2C9ADORA3ADORA2BADORA1 | |
| SCHEMBL19987282 | 0.82 | CYP3A4 (0.41) | CYP3A4CYP2C9 | |
| SCHEMBL19987205 | 0.82 | CYP3A4 (0.41) | CYP3A4CYP2C9ADORA1NT5E |
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 |