Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.59 |
| ▸ | BTN3A1 | O00481 | 4/20 | 0.40 |
| ▸ | P2RY2 | P41231 | 4/20 | 0.40 |
| ▸ | P2RY6 | Q15077 | 3/20 | 0.40 |
| ▸ | P2RY14 | Q15391 | 3/20 | 0.40 |
| ▸ | TYMS | P04818 | 1/20 | 0.35 |
| ▸ | P2RY4 | P51582 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10239235 | 0.87 | CYP3A4 (0.71) | CYP3A4CYP2C9BTN3A1P2RY2P2RY6 | |
| SCHEMBL9102628 | 0.87 | CYP3A4 (0.71) | CYP3A4CYP2C9BTN3A1P2RY2P2RY6 | |
| SCHEMBL9103804 | 0.87 | CYP3A4 (0.71) | CYP3A4CYP2C9BTN3A1P2RY2P2RY6 | |
| SCHEMBL9909467 | 0.87 | CYP3A4 (0.71) | CYP3A4CYP2C9BTN3A1P2RY2P2RY6 | |
| SCHEMBL9102634 | 0.87 | CYP3A4 (0.71) | CYP3A4CYP2C9BTN3A1P2RY2P2RY6 | |
| SCHEMBL9103793 | 0.87 | CYP3A4 (0.71) | CYP3A4CYP2C9BTN3A1P2RY2P2RY6 | |
| SCHEMBL9106317 | 0.84 | CYP3A4 (0.69) | CYP3A4CYP2C9BTN3A1P2RY2P2RY6 | |
| SCHEMBL9104831 | 0.84 | CYP3A4 (0.69) | CYP3A4CYP2C9BTN3A1P2RY2P2RY6 | |
| SCHEMBL9106311 | 0.84 | CYP3A4 (0.69) | CYP3A4CYP2C9BTN3A1P2RY2P2RY6 | |
| SCHEMBL9909473 | 0.84 | CYP3A4 (0.69) | CYP3A4CYP2C9BTN3A1P2RY2P2RY6 |
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-2012075140-A1 | COMPOUNDS | PHARMASSET, INC. (US) | 2012-06-07 | — | — | WO | disclosed |