Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.68 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 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 | |
|---|---|---|---|---|
| SCHEMBL244981 | 1.00 | CYP3A4 (0.68) | CYP3A4PSIP1NR1I2 | |
| SCHEMBL15182676 | 0.94 | CYP3A4 (0.59) | CYP3A4PSIP1 | |
| SCHEMBL246526 | 0.93 | CYP3A4 (0.69) | CYP3A4PSIP1NR1I2 | |
| SCHEMBL244833 | 0.92 | CYP3A4 (0.75) | CYP3A4PSIP1NR1I2 | |
| SCHEMBL244314 | 0.92 | CYP3A4 (0.68) | CYP3A4PSIP1NR1I2 | |
| SCHEMBL251326 | 0.91 | CYP3A4 (0.67) | CYP3A4PSIP1NR1I2 | |
| SCHEMBL244883 | 0.91 | CYP3A4 (0.69) | CYP3A4PSIP1NR1I2 | |
| SCHEMBL244974 | 0.90 | CYP3A4 (0.68) | CYP3A4PSIP1NR1I2 | |
| SCHEMBL245459 | 0.90 | CYP3A4 (0.68) | CYP3A4PSIP1NR1I2 | |
| SCHEMBL242145 | 0.89 | CYP3A4 (0.72) | 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 |
|---|---|---|---|---|---|---|---|
| EP-2588455-B1 | 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS | GILEAD SCIENCES INC (US) | 2018-04-04 | — | — | EP | disclosed |