Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.67 |
| ▸ | BTN3A1 | O00481 | 6/20 | 0.39 |
| ▸ | P2RY6 | Q15077 | 2/20 | 0.36 |
| ▸ | P2RY2 | P41231 | 3/20 | 0.35 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.35 |
| ▸ | P2RY12 | Q9H244 | 3/20 | 0.32 |
| ▸ | ENTPD2 | Q9Y5L3 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19987262 | 0.89 | CYP3A4 (0.54) | CYP3A4CYP2C9BTN3A1 | |
| SCHEMBL19987240 | 0.85 | CYP3A4 (0.68) | CYP3A4CYP2C9BTN3A1P2RY6P2RY2 | |
| SCHEMBL19987220 | 0.85 | CYP3A4 (0.68) | CYP3A4CYP2C9BTN3A1P2RY6P2RY2 | |
| SCHEMBL21511241 | 0.84 | CYP3A4 (0.74) | CYP3A4CYP2C9BTN3A1P2RY6P2RY2 | |
| SCHEMBL19987219 | 0.84 | CYP3A4 (0.74) | CYP3A4CYP2C9BTN3A1P2RY6P2RY2 | |
| SCHEMBL19987353 | 0.83 | CYP3A4 (0.78) | CYP3A4CYP2C9BTN3A1P2RY6P2RY2 | |
| SCHEMBL19987279 | 0.82 | CYP3A4 (0.51) | CYP3A4CYP2C9BTN3A1 | |
| SCHEMBL19987241 | 0.81 | CYP3A4 (0.70) | CYP3A4CYP2C9BTN3A1P2RY6P2RY2 | |
| SCHEMBL21511188 | 0.81 | CYP3A4 (0.68) | CYP3A4CYP2C9BTN3A1P2RY6P2RY2 | |
| SCHEMBL21511240 | 0.81 | CYP3A4 (0.74) | CYP3A4CYP2C9BTN3A1P2RY6P2RY2 |
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 |