Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | BTN3A1 | O00481 | 9/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL16566276 | 0.86 | CYP3A4 (0.55) | CYP3A4CYP2C9BTN3A1 | |
| SCHEMBL24371965 | 0.84 | CYP3A4 (0.50) | CYP3A4CYP2C9BTN3A1 | |
| SCHEMBL15739616 | 0.84 | CYP3A4 (0.51) | CYP3A4CYP2C9BTN3A1 | |
| SCHEMBL18430139 | 0.83 | CYP3A4 (0.50) | CYP3A4CYP2C9BTN3A1 | |
| SCHEMBL24371399 | 0.81 | CYP3A4 (0.33) | CYP3A4CYP2C9 | |
| SCHEMBL21418701 | 0.80 | CYP3A4 (0.51) | CYP3A4CYP2C9BTN3A1 | |
| SCHEMBL24371371 | 0.79 | P2RY14 (0.34) | — | |
| SCHEMBL24371799 | 0.79 | P2RY14 (0.34) | — | |
| SCHEMBL19352534 | 0.79 | BTN3A1 (0.50) | CYP3A4CYP2C9BTN3A1 | |
| SCHEMBL16575783 | 0.79 | CYP3A4 (0.49) | CYP3A4CYP2C9BTN3A1 |
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-3043803-B1 | NUCLEOTIDE AND NUCLEOSIDE COMPOSITIONS AND THEIR USES | UNIV EMORY (US) | 2022-04-27 | — | — | EP | disclosed |