Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.43 |
| ▸ | PTGDR2 | Q9Y5Y4 | 8/20 | 0.36 |
| ▸ | TNKS | O95271 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10271607 | 0.93 | CYP3A4 (0.47) | CYP3A4PSIP1PTGDR2 | |
| SCHEMBL1699777 | 0.91 | CYP3A4 (0.50) | CYP3A4PSIP1PTGDR2 | |
| SCHEMBL10271610 | 0.89 | CYP3A4 (0.49) | CYP3A4PSIP1PTGDR2 | |
| SCHEMBL1699335 | 0.89 | PSIP1 (0.50) | CYP3A4PSIP1PTGDR2 | |
| SCHEMBL1699367 | 0.87 | CYP3A4 (0.47) | CYP3A4PSIP1PTGDR2 | |
| SCHEMBL1699246 | 0.85 | CYP3A4 (0.49) | CYP3A4PSIP1 | |
| SCHEMBL1699278 | 0.85 | CYP3A4 (0.49) | CYP3A4PSIP1 | |
| SCHEMBL1699565 | 0.85 | CYP3A4 (0.46) | CYP3A4PSIP1PTGDR2KCNH2 | |
| SCHEMBL1699329 | 0.84 | CYP3A4 (0.47) | CYP3A4PSIP1PTGDR2KCNH2 | |
| SCHEMBL1699452 | 0.84 | CYP3A4 (0.50) | CYP3A4PSIP1PTGDR2 |
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 |