Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.44 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 4/20 | 0.33 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL10271699 | 0.96 | CYP3A4 (0.45) | CYP3A4PSIP1PTGDR2 | |
| SCHEMBL1699777 | 0.88 | CYP3A4 (0.50) | CYP3A4PSIP1PTGDR2 | |
| SCHEMBL10271610 | 0.87 | CYP3A4 (0.49) | CYP3A4PSIP1PTGDR2 | |
| SCHEMBL1699335 | 0.86 | PSIP1 (0.50) | CYP3A4PSIP1PTGDR2 | |
| SCHEMBL1699367 | 0.84 | CYP3A4 (0.47) | CYP3A4PSIP1PTGDR2 | |
| SCHEMBL10271607 | 0.84 | CYP3A4 (0.47) | CYP3A4PSIP1PTGDR2 | |
| SCHEMBL10271612 | 0.83 | CYP3A4 (0.41) | CYP3A4PSIP1KCNH2 | |
| SCHEMBL1699336 | 0.83 | CYP3A4 (0.44) | CYP3A4PSIP1PTGDR2KCNH2 | |
| SCHEMBL10271802 | 0.83 | CYP3A4 (0.46) | CYP3A4PSIP1PTGDR2KCNH2 | |
| SCHEMBL1699246 | 0.83 | CYP3A4 (0.49) | CYP3A4PSIP1 |
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-2012003497-A1 | NAPHT- 2 -YLACETIC ACID DERIVATIVES TO TREAT AIDS | GILEAD SCIENCES, INC. (US) | 2012-01-05 | — | — | WO | disclosed |