Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.67 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 8/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 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 | |
|---|---|---|---|---|
| SCHEMBL15099746 | 0.93 | CYP3A4 (0.69) | CYP3A4PSIP1MAPK14NR1I2 | |
| SCHEMBL15093496 | 0.93 | CYP3A4 (0.69) | CYP3A4PSIP1MAPK14NR1I2 | |
| SCHEMBL15099744 | 0.93 | CYP3A4 (0.68) | CYP3A4PSIP1MAPK14NR1I2 | |
| SCHEMBL15093557 | 0.93 | CYP3A4 (0.68) | CYP3A4PSIP1MAPK14NR1I2 | |
| SCHEMBL1699622 | 0.90 | CYP3A4 (0.71) | CYP3A4PSIP1MAPK14NR1I2 | |
| SCHEMBL15093285 | 0.90 | CYP3A4 (0.71) | CYP3A4PSIP1MAPK14NR1I2 | |
| SCHEMBL15093284 | 0.90 | CYP3A4 (0.71) | CYP3A4PSIP1MAPK14NR1I2 | |
| SCHEMBL1699364 | 0.89 | CYP3A4 (0.69) | CYP3A4PSIP1MAPK14NR1I2 | |
| SCHEMBL1699453 | 0.89 | CYP3A4 (0.69) | CYP3A4PSIP1NR1I2 | |
| SCHEMBL1699472 | 0.89 | CYP3A4 (0.69) | 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-2013103738-A1 | NAPTHALENE ACETIC ACID DERIVATIVES AGAINST HIV INFECTION | GILEAD SCIENCES, INC. (US) | 2013-07-11 | — | — | WO | disclosed |