Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | BTN3A1 | O00481 | 3/20 | 0.35 |
| ▸ | HINT1 | P49773 | 2/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.34 |
| ▸ | HSP90B1 | P14625 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18512911 | 1.00 | CYP3A4 (0.41) | CYP3A4CYP2C9BTN3A1HINT1ADORA3 | |
| SCHEMBL25720930 | 1.00 | CYP3A4 (0.41) | CYP3A4CYP2C9BTN3A1HINT1ADORA3 | |
| SCHEMBL25715220 | 0.93 | CYP3A4 (0.39) | CYP3A4CYP2C9BTN3A1HINT1ADORA3 | |
| SCHEMBL25715200 | 0.93 | CYP3A4 (0.39) | CYP3A4CYP2C9BTN3A1HINT1ADORA3 | |
| SCHEMBL25715188 | 0.93 | CYP3A4 (0.39) | CYP3A4CYP2C9BTN3A1HINT1ADORA3 | |
| SCHEMBL25724617 | 0.87 | CYP3A4 (0.40) | CYP3A4CYP2C9BTN3A1HINT1ADORA3 | |
| SCHEMBL25721810 | 0.87 | CYP3A4 (0.40) | CYP3A4CYP2C9BTN3A1HINT1ADORA3 | |
| SCHEMBL25724873 | 0.87 | TAAR1 (0.45) | CYP3A4CYP2C9HINT1 | |
| SCHEMBL18458037 | 0.84 | CYP3A4 (0.39) | CYP3A4CYP2C9BTN3A1HINT1ADORA3 | |
| SCHEMBL20402084 | 0.84 | CYP3A4 (0.39) | CYP3A4CYP2C9BTN3A1HINT1ADORA3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3131914-B1 | 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES FOR THE TREATMENT OF HCV | IDENIX PHARMACEUTICALS LLC (US) | 2023-05-10 | — | — | EP | disclosed |