Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.68 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18892390 | 0.94 | CYP3A4 (0.71) | CYP3A4PSIP1NR1I2MAPK14 | |
| SCHEMBL1699612 | 0.94 | CYP3A4 (0.71) | CYP3A4PSIP1NR1I2MAPK14 | |
| SCHEMBL10271709 | 0.94 | CYP3A4 (0.71) | CYP3A4PSIP1NR1I2MAPK14 | |
| SCHEMBL1699573 | 0.94 | CYP3A4 (0.71) | CYP3A4PSIP1NR1I2MAPK14 | |
| SCHEMBL18892329 | 0.94 | CYP3A4 (0.71) | CYP3A4PSIP1NR1I2MAPK14 | |
| SCHEMBL10271706 | 0.93 | CYP3A4 (0.58) | CYP3A4MAPK14 | |
| SCHEMBL18892300 | 0.92 | CYP3A4 (0.67) | CYP3A4PSIP1NR1I2MAPK14 | |
| SCHEMBL1699599 | 0.92 | CYP3A4 (0.67) | CYP3A4PSIP1NR1I2MAPK14 | |
| SCHEMBL1699467 | 0.91 | CYP3A4 (0.68) | CYP3A4PSIP1NR1I2 | |
| SCHEMBL1699624 | 0.91 | CYP3A4 (0.68) | CYP3A4PSIP1NR1I2 |
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 |